cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.25573/data.10059464.v7
title: Monthly summary_Bocas Station

description: Monthly and daily summary from the Bocas del Toro Research StationLocation: 9.351553°, -82.256565°<br>Parameters: air temperature, relative humidity, wind speed and direction, precipitation, sea surface temperature, solar radiation (pyranometer), air pressure, dissolved oxygen, turbidity, salinity, pH<br><br>Sensors located on a platform located approximately 60m from the end of the station’s dock. Platform includes meteorological tower, Sea Surface Temperature probe and several sea level sensors. The current platform was built in 2012 to replace the original platform.
DOI: 10.25573/data.10059467.v7
title: Monthly summary_Agua Salud, Celestino Tower

description: Monthly and daily summaries from the Agua Salud Celestino Tower. <br>Location 9.21142N, 79.72656W<br>Parameters: air temperature, relative humidity, wind speed and direction, precipitation, solar radiation (pyranometer, photosynthetically active radiation), soil moisture, net radiation, air pressure, evapotranspiration<br><br>Established in 2015 and is located at the eastern edge of the Soberania Nation Park, in an area of pastures and forest patches. The tower is 40ft (12.2m) tall
DOI: 10.25573/data.10059470.v7
title: Monthly summary_Culebra Station Tower

description: Punta Culebra Nature Center meteorological station. Established in 2002. <br>Location: 8.910718°N, -79.528919°<br>Parameters: air temperature, relative humidity, wind speed and direction, precipitation, solar radiation (pyranometer)
DOI: 10.25573/data.10059518.v7
title: Monthly summary_San Lorenzo Crane

description: Monthly and daily summaires from the San Lorenzo (Formerly know as Fort Sherman) Canopy Access Crane. <br><br>Parameters: air temperature, relative humidity, wind speed and direction, precipitation, solar radiation (pyranometer)<br>Established in 1997, the San Lorenzo canopy crane (9.281031°, -79.974518°) is located approximately 11 km South West from the city of Colon, in the middle the Parque Natural San Lorenzo (formerly known as Fort Sherman) and is surrounded by 300-year old, low-land tropical rainforest
DOI: 10.25573/data.10059530.v7
title: Monthly summary_Galeta Station

description: Monthly and daily summary from Galeta Island marine laboratory<br>Location: 9.402742°, -79.860837°<br>Parameters: air temperature, relative humidity, wind speed and direction, precipitation, sea surface temperature, solar radiation (pyranometer)<br><br>Galeta Island Marine Laboratory physical monitoring station established in 1974<br>Galeta station is located 6 km North East of the city of Colon. Established in the 1960’s.
DOI: 10.14272/njiblacjiyrfhp-uhfffaoysa-n.1
title: C24H22O6
title: InChI=1S/C24H22O6/c1-5-11-29-15-19-13-17(23(25)27-3)7-9-21(19)22-10-8-18(24(26)28-4)14-20(22)16-30-12-6-2/h1-2,7-10,13-14H,11-12,15-16H2,3-4H3

description: This dataset contains experimental data from a sample (InChI=1S/C24H22O6/c1-5-11-29-15-19-13-17(23(25)27-3)7-9-21(19)22-10-8-18(24(26)28-4)14-20(22)16-30-12-6-2/h1-2,7-10,13-14H,11-12,15-16H2,3-4H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/njiblacjiyrfhp-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C24H22O6/c1-5-11-29-15-19-13-17(23(25)27-3)7-9-21(19)22-10-8-18(24(26)28-4)14-20(22)16-30-12-6-2/h1-2,7-10,13-14H,11-12,15-16H2,3-4H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–FAB (m/z): [M + H]+ calcd for C24H23O6, 407.1495; found, 407.1491.
DOI: 10.14272/njiblacjiyrfhp-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C24H22O6/c1-5-11-29-15-19-13-17(23(25)27-3)7-9-21(19)22-10-8-18(24(26)28-4)14-20(22)16-30-12-6-2/h1-2,7-10,13-14H,11-12,15-16H2,3-4H3

description: dataset for mass spectrometry (MS) FAB (m/z): 407 [M + H]+, 375 [M–OCH3]+, 351 [M–OCH2C≡CH]+. HRMS–FAB (m/z): [M + H]+ calcd for C24H23O6, 407.1495; found, 407.1491.
DOI: 10.14272/njiblacjiyrfhp-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C24H22O6/c1-5-11-29-15-19-13-17(23(25)27-3)7-9-21(19)22-10-8-18(24(26)28-4)14-20(22)16-30-12-6-2/h1-2,7-10,13-14H,11-12,15-16H2,3-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.22 (d, 2H, J = 1.5 Hz, CH), 8.02 (dd, 2H, J = 8.0 Hz, J = 1.5 Hz, CH), 7.26 (d, 2H, J = 8.0 Hz, CH), 4.32–4.26 (AB system, 4H, ArCH2O), 4.02 (d, 4H, J = 2.5 Hz, OCH2C≡CH), 3.95 (s, 6H, CO2CH3), 2.33 (t, 2H, J = 2.5 Hz, OCH2C≡CH).
DOI: 10.14272/njiblacjiyrfhp-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C24H22O6/c1-5-11-29-15-19-13-17(23(25)27-3)7-9-21(19)22-10-8-18(24(26)28-4)14-20(22)16-30-12-6-2/h1-2,7-10,13-14H,11-12,15-16H2,3-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 166.9 (2C, CO2CH3), 143.8 (2C, Cq), 136.0 (2C, Cq), 130.3 (2C, CH), 130.2 (2C, Cq), 129.8 (2C, CH), 128.9 (2C, CH), 79.3 (2C, OCH2C≡CH), 75.0 (2C, OCH2C≡CH), 69.1 (2C, ArCH2O), 57.9 (2C, OCH2C≡CH), 52.4 (2C, CO2CH3).
DOI: 10.7910/dvn/jnnk7b/0lbzch
title: three_conditions_v4.png

description: :unav
DOI: 10.7910/dvn/jnnk7b/pxrcz4
title: three_conditions_v4_map_only.zip

description: :unav
DOI: 10.7910/dvn/jnnk7b/j6v3kx
title: three_global_conditions_map_metadata_2019_10_21.pdf

description: :unav
DOI: 10.14272/jbhussaubjvujg-uhfffaoysa-n.2
title: C24H22O4
title: InChI=1S/C24H22O4/c1-15-13-19(23(25)27-3)9-11-21(15)17-5-7-18(8-6-17)22-12-10-20(14-16(22)2)24(26)28-4/h5-14H,1-4H3

description: This dataset contains experimental data from a sample (methyl 4-[4-(4-methoxycarbonyl-2-methylphenyl)phenyl]-3-methylbenzoate, InChI=1S/C24H22O4/c1-15-13-19(23(25)27-3)9-11-21(15)17-5-7-18(8-6-17)22-12-10-20(14-16(22)2)24(26)28-4/h5-14H,1-4H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) high-resolution mass spectrometry (HRMS) mass spectrometry (MS)
DOI: 10.14272/jbhussaubjvujg-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (methyl 4-[4-(4-methoxycarbonyl-2-methylphenyl)phenyl]-3-methylbenzoate)
title: InChI=1S/C24H22O4/c1-15-13-19(23(25)27-3)9-11-21(15)17-5-7-18(8-6-17)22-12-10-20(14-16(22)2)24(26)28-4/h5-14H,1-4H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–EI (m/z): [M]+ calcd for C24H22O4, 374.1513; found, 374.1511.
DOI: 10.14272/jbhussaubjvujg-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (methyl 4-[4-(4-methoxycarbonyl-2-methylphenyl)phenyl]-3-methylbenzoate)
title: InChI=1S/C24H22O4/c1-15-13-19(23(25)27-3)9-11-21(15)17-5-7-18(8-6-17)22-12-10-20(14-16(22)2)24(26)28-4/h5-14H,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 7.99 (d, 2H, J = 1.5 Hz, CH), 7.93 (dd, 2H, J = 8.0 Hz, J = 1.5 Hz, CH), 7.39 (s, 4H, CH), 7.36 (d, 2H, J = 8.0 Hz, CH), 3.95 (s, 6H, CO2CH3), 2.38 (s, 6H, ArCH3).
DOI: 10.14272/jbhussaubjvujg-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (methyl 4-[4-(4-methoxycarbonyl-2-methylphenyl)phenyl]-3-methylbenzoate)
title: InChI=1S/C24H22O4/c1-15-13-19(23(25)27-3)9-11-21(15)17-5-7-18(8-6-17)22-12-10-20(14-16(22)2)24(26)28-4/h5-14H,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 167.3 (2C, CO2CH3), 146.2 (2C, Cq), 140.1 (2C, Cq), 135.8 (2C, Cq), 131.7 (2C, CH), 130.1 (2C, CH), 129.2 (2C, Cq), 128.9 (4C, CH), 127.2 (2C, CH), 52.3 (2C, CO2CH3), 20.7 (2C, ArCH3).
DOI: 10.14272/jbhussaubjvujg-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (methyl 4-[4-(4-methoxycarbonyl-2-methylphenyl)phenyl]-3-methylbenzoate)
title: InChI=1S/C24H22O4/c1-15-13-19(23(25)27-3)9-11-21(15)17-5-7-18(8-6-17)22-12-10-20(14-16(22)2)24(26)28-4/h5-14H,1-4H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 130 °C): 374 (100) [M]+, 343 (12) [M–OCH3]+.
DOI: 10.14272/jbhussaubjvujg-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) (methyl 4-[4-(4-methoxycarbonyl-2-methylphenyl)phenyl]-3-methylbenzoate)
title: InChI=1S/C24H22O4/c1-15-13-19(23(25)27-3)9-11-21(15)17-5-7-18(8-6-17)22-12-10-20(14-16(22)2)24(26)28-4/h5-14H,1-4H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 130 °C): 375 (59), 374 (100) [M]+, 344 (12), 343 (58) [M–OCH3]+, 241 (9), 156 (24).
DOI: 10.17604/vrsh-w974
title: Data From: Characterizing and quantifying African dust transport and deposition to South America: Implications for the phosphorus budget in the Amazon Basin
DOI: 10.14272/fyekgzuxgkajjq-uhfffaoysa-n.1
title: 3-amino-4-(4-carboxyphenyl)benzoic acid
title: InChI=1S/C14H11NO4/c15-12-7-10(14(18)19)5-6-11(12)8-1-3-9(4-2-8)13(16)17/h1-7H,15H2,(H,16,17)(H,18,19)

description: This dataset contains experimental data from a sample (3-amino-4-(4-carboxyphenyl)benzoic acid, InChI=1S/C14H11NO4/c15-12-7-10(14(18)19)5-6-11(12)8-1-3-9(4-2-8)13(16)17/h1-7H,15H2,(H,16,17)(H,18,19)). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) high-resolution mass spectrometry (HRMS) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/fyekgzuxgkajjq-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (3-amino-4-(4-carboxyphenyl)benzoic acid)
title: InChI=1S/C14H11NO4/c15-12-7-10(14(18)19)5-6-11(12)8-1-3-9(4-2-8)13(16)17/h1-7H,15H2,(H,16,17)(H,18,19)

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–EI (m/z): [M]+ calcd for C14H11NO4, 257.0683; found, 257.0684.
DOI: 10.14272/fyekgzuxgkajjq-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-amino-4-(4-carboxyphenyl)benzoic acid)
title: InChI=1S/C14H11NO4/c15-12-7-10(14(18)19)5-6-11(12)8-1-3-9(4-2-8)13(16)17/h1-7H,15H2,(H,16,17)(H,18,19)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DMSO-d6, ppm) δ = 12.99 (bs, 2H, CO2H), 8.03–8.02 (m, 2H, CH), 7.61–7.59 (m, 2H, CH), 7.51 (s, 1H, CH), 7.33 (d, 1H, J = 8.0 Hz, CH), 7.19 (d, 1H, J = 8.0 Hz, CH), 4.14 (b-s, 2H, NH2).
DOI: 10.14272/fyekgzuxgkajjq-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3-amino-4-(4-carboxyphenyl)benzoic acid)
title: InChI=1S/C14H11NO4/c15-12-7-10(14(18)19)5-6-11(12)8-1-3-9(4-2-8)13(16)17/h1-7H,15H2,(H,16,17)(H,18,19)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, DMSO-d6, ppm) δ = 167.1 (2C, CO2H), 142.4 (Cq), 140.7 (Cq), 131.7 (Cq), 131.2 (Cq), 130.7 (CH), 129.9 (Cq), 129.8 (2C, CH), 129.0 (2C, CH), 120.9 (CH), 119.0 (CH).
DOI: 10.14272/fyekgzuxgkajjq-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (3-amino-4-(4-carboxyphenyl)benzoic acid)
title: InChI=1S/C14H11NO4/c15-12-7-10(14(18)19)5-6-11(12)8-1-3-9(4-2-8)13(16)17/h1-7H,15H2,(H,16,17)(H,18,19)

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 220 °C): 257 (100) [M]+, 240 (3) [M–OH]+, 212 (6) [M–CO2H]+.
DOI: 10.14272/fyekgzuxgkajjq-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) (3-amino-4-(4-carboxyphenyl)benzoic acid)
title: InChI=1S/C14H11NO4/c15-12-7-10(14(18)19)5-6-11(12)8-1-3-9(4-2-8)13(16)17/h1-7H,15H2,(H,16,17)(H,18,19)

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 220 °C): 257 (100) [M]+, 240 (3) [M–OH]+, 219 (20), 212 (6) [M–CO2H]+, 169 (26), 168 (30), 167 (23), 119 (17), 69 (86), 36 (35).
DOI: 10.14272/fyekgzuxgkajjq-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (3-amino-4-(4-carboxyphenyl)benzoic acid)
title: InChI=1S/C14H11NO4/c15-12-7-10(14(18)19)5-6-11(12)8-1-3-9(4-2-8)13(16)17/h1-7H,15H2,(H,16,17)(H,18,19)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3495, 3398, 2990, 2952, 2919, 2850, 1680, 1623, 1605, 1574, 1555, 1519, 1497, 1432, 1418, 1397, 1289, 1237, 1196, 1184, 1111, 1004, 918, 870, 833, 795, 758, 741, 704, 660, 633, 584, 571, 538, 513, 456, 426, 390 cm–1.
DOI: 10.14272/hphplvdtsmaoka-uhfffaoysa-n.2
title: ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
title: InChI=1S/C14H21BO4S/c1-7-17-12(16)11-8-10(9(2)20-11)15-18-13(3,4)14(5,6)19-15/h8H,7H2,1-6H3

description: This dataset contains experimental data from a sample (ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate, InChI=1S/C14H21BO4S/c1-7-17-12(16)11-8-10(9(2)20-11)15-18-13(3,4)14(5,6)19-15/h8H,7H2,1-6H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/hphplvdtsmaoka-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate)
title: InChI=1S/C14H21BO4S/c1-7-17-12(16)11-8-10(9(2)20-11)15-18-13(3,4)14(5,6)19-15/h8H,7H2,1-6H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 7.91 (s, 1H, C3H), 4.30 (q, 2H, J = 7.0 Hz, OCH2CH3), 2.69 (s, 3H, ArCH3), 1.34 (t, 3H, J = 7.0 Hz, OCH2CH3), 1.32 (s, 12H, CH3).
DOI: 10.14272/hphplvdtsmaoka-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate)
title: InChI=1S/C14H21BO4S/c1-7-17-12(16)11-8-10(9(2)20-11)15-18-13(3,4)14(5,6)19-15/h8H,7H2,1-6H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 162.5 (CO2Et), 159.8 (C5q), 140.2 (C3H), 130.8 (C2q), 83.7 (2C, Cq), 61.0 (OCH2CH3), 25.0 (4C, CH3), 16.5 (ArCH3), 14.5 (OCH2CH3), missing/invisible signal (C4q).
DOI: 10.14272/hphplvdtsmaoka-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate)
title: InChI=1S/C14H21BO4S/c1-7-17-12(16)11-8-10(9(2)20-11)15-18-13(3,4)14(5,6)19-15/h8H,7H2,1-6H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 30 °C): 297 (17), 296 (100) [M]+, 295 (23), 281 (25) [M–CH3]+, 253 (30), 251 (28) [M–OEt]+, 239 (90), 238 (38), 210 (25), 197 (46), 196 (49), 181 (27), 169 (23), 168 (36), 167 (18), 151 (28), 131 (22), 69 (40). HRMS–EI (m/z): [M]+ calcd for C14H21BO4S, 296.1254; found, 296.1248.
DOI: 10.14272/hphplvdtsmaoka-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate)
title: InChI=1S/C14H21BO4S/c1-7-17-12(16)11-8-10(9(2)20-11)15-18-13(3,4)14(5,6)19-15/h8H,7H2,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2986, 2974, 2930, 2910, 2872, 1705, 1539, 1449, 1417, 1396, 1366, 1348, 1311, 1277, 1256, 1212, 1167, 1141, 1116, 1090, 1029, 961, 891, 865, 845, 827, 755, 715, 697, 667, 644, 582, 520, 508, 487, 442, 395 cm–1.
DOI: 10.14272/cfldwdvclodtos-uhfffaoysa-n.2
title: C28H30O4
title: InChI=1S/C28H30O4/c1-17(2)31-27(29)23-11-7-21(8-12-23)25-15-20(6)26(16-19(25)5)22-9-13-24(14-10-22)28(30)32-18(3)4/h7-18H,1-6H3

description: This dataset contains experimental data from a sample (InChI=1S/C28H30O4/c1-17(2)31-27(29)23-11-7-21(8-12-23)25-15-20(6)26(16-19(25)5)22-9-13-24(14-10-22)28(30)32-18(3)4/h7-18H,1-6H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/cfldwdvclodtos-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C28H30O4/c1-17(2)31-27(29)23-11-7-21(8-12-23)25-15-20(6)26(16-19(25)5)22-9-13-24(14-10-22)28(30)32-18(3)4/h7-18H,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2984, 2955, 2937, 2921, 2875, 1711, 1607, 1467, 1450, 1443, 1412, 1375, 1355, 1332, 1310, 1272, 1177, 1146, 1120, 1093, 1041, 1015, 993, 978, 944, 915, 901, 862, 851, 824, 787, 777, 765, 733, 711, 653, 521, 500, 462, 421 cm–1.
DOI: 10.14272/cfldwdvclodtos-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C28H30O4/c1-17(2)31-27(29)23-11-7-21(8-12-23)25-15-20(6)26(16-19(25)5)22-9-13-24(14-10-22)28(30)32-18(3)4/h7-18H,1-6H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.12–8.10 (m, 4H, CH), 7.45–7.43 (m, 4H, CH), 7.16 (s, 2H, CH), 5.30 (hept, 2H, J = 6.0 Hz, CO2CH(CH3)2), 2.27 (s, 6H, ArCH3), 1.40 (d, 12H, J = 6.0 Hz, CO2CH(CH3)2).
DOI: 10.14272/cfldwdvclodtos-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C28H30O4/c1-17(2)31-27(29)23-11-7-21(8-12-23)25-15-20(6)26(16-19(25)5)22-9-13-24(14-10-22)28(30)32-18(3)4/h7-18H,1-6H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 166.2 (2C, CO2iPr), 146.2 (2C, Cq), 140.6 (2C, Cq), 132.8 (2C, Cq), 131.9 (2C, CH), 129.6 (2C, Cq), 129.6 (4C, CH), 129.3 (4C, CH), 68.5 (2C, CO2CH(CH3)2), 22.1 (4C, CO2CH(CH3)2), 20.0 (2C, ArCH3).
DOI: 10.14272/cfldwdvclodtos-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C28H30O4/c1-17(2)31-27(29)23-11-7-21(8-12-23)25-15-20(6)26(16-19(25)5)22-9-13-24(14-10-22)28(30)32-18(3)4/h7-18H,1-6H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 100 °C): 431 (29), 430 (100) [M]+, 388 (9) [MH–iPr]+, 371 (18) [M–OiPr]+, 346 (10), 329 (14), 326 (21), 267 (16) [M–C6H4CO2iPr]+, 242 (17), 226 (8), 225 (19), 181 (31), 152 (11), 131 (17), 69 (42), 59 (10). HRMS–EI (m/z): [M]+ calcd for C28H30O4, 430.2144; found, 430.2137.
DOI: 10.5519/qd.sorilbsq
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (144 records)
DOI: 10.5517/ccdc.csd.cc222qws
title: CCDC 1909255: Experimental Crystal Structure Determination

description: Related Article: Vnira R. Akhmetova, El'mira M. Bikbulatova, Ekaterina S. Mescheryakova, Nail S. Akhmadiev, Marat F. Abdullin, Askhat G. Ibragimov|2020|Polyhedron|187|114678|doi:10.1016/j.poly.2020.114678
DOI: 10.5517/ccdc.csd.cc222r0y
title: CCDC 1909259: Experimental Crystal Structure Determination

description: Related Article: Vnira R. Akhmetova, El'mira M. Bikbulatova, Ekaterina S. Mescheryakova, Nail S. Akhmadiev, Marat F. Abdullin, Askhat G. Ibragimov|2020|Polyhedron|187|114678|doi:10.1016/j.poly.2020.114678
DOI: 10.14272/wkpxhjqlontgkn-uhfffaoysa-n.2
title: C21H18F6O4S2
title: InChI=1S/C21H18F6O4S2/c1-5-30-17(28)13-7-11(9(3)32-13)15-16(20(24,25)21(26,27)19(15,22)23)12-8-14(33-10(12)4)18(29)31-6-2/h7-8H,5-6H2,1-4H3

description: This dataset contains experimental data from a sample (InChI=1S/C21H18F6O4S2/c1-5-30-17(28)13-7-11(9(3)32-13)15-16(20(24,25)21(26,27)19(15,22)23)12-8-14(33-10(12)4)18(29)31-6-2/h7-8H,5-6H2,1-4H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 19F nuclear magnetic resonance spectroscopy (19F NMR) mass spectrometry (MS)
DOI: 10.14272/wkpxhjqlontgkn-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C21H18F6O4S2/c1-5-30-17(28)13-7-11(9(3)32-13)15-16(20(24,25)21(26,27)19(15,22)23)12-8-14(33-10(12)4)18(29)31-6-2/h7-8H,5-6H2,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 7.74 (s, 2H, C3H), 4.34 (q, 4H, J = 7.0 Hz, OCH2CH3), 1.94 (s, 6H, ArCH3), 1.37 (t, 6H, J = 7.0 Hz, OCH2CH3).
DOI: 10.14272/wkpxhjqlontgkn-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C21H18F6O4S2/c1-5-30-17(28)13-7-11(9(3)32-13)15-16(20(24,25)21(26,27)19(15,22)23)12-8-14(33-10(12)4)18(29)31-6-2/h7-8H,5-6H2,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 161.4 (2C, CO2Et), 148.6 (2C, C5q), 132.9 (2C, C3H), 132.5 (2C, C2q), 125.5 (2C, C4q), 61.7 (2C, OCH2CH3), 15.1 (2C, ArCH3), 14.4 (2C, OCH2CH3), missing/invisible signals (5C, C5F6).
DOI: 10.14272/wkpxhjqlontgkn-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C21H18F6O4S2/c1-5-30-17(28)13-7-11(9(3)32-13)15-16(20(24,25)21(26,27)19(15,22)23)12-8-14(33-10(12)4)18(29)31-6-2/h7-8H,5-6H2,1-4H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (470 MHz, CDCl3, ppm) δ = -110.4 (4F, CF2), -131.9 (2F, CF2).
DOI: 10.14272/wkpxhjqlontgkn-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C21H18F6O4S2/c1-5-30-17(28)13-7-11(9(3)32-13)15-16(20(24,25)21(26,27)19(15,22)23)12-8-14(33-10(12)4)18(29)31-6-2/h7-8H,5-6H2,1-4H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3080, 2992, 2911, 1706, 1555, 1467, 1369, 1334, 1300, 1250, 1192, 1157, 1119, 1085, 1062, 1017, 981, 903, 872, 813, 750, 663, 620, 564, 538, 486, 467, 377 cm–1.
DOI: 10.14272/wkpxhjqlontgkn-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C21H18F6O4S2/c1-5-30-17(28)13-7-11(9(3)32-13)15-16(20(24,25)21(26,27)19(15,22)23)12-8-14(33-10(12)4)18(29)31-6-2/h7-8H,5-6H2,1-4H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 90 °C): 513 (25), 512 (100) [M]+, 468 (19), 467 (51) [M–OEt]+, 466 (93) [M–H–OEt]+, 451 (36), 439 (16) [M–CO2Et]+, 423 (45) [MH–OEt–OEt]+, 395 (15), 365 (16). HRMS–EI (m/z): [M]+ calcd for C21H18F6O4S2, 512.0551; found, 512.0544.
DOI: 10.14272/mcpqnudhoykajs-uhfffaoysa-n.2
title: methyl 4-[4-(4-methoxycarbonylphenyl)phenyl]benzoate
title: InChI=1S/C22H18O4/c1-25-21(23)19-11-7-17(8-12-19)15-3-5-16(6-4-15)18-9-13-20(14-10-18)22(24)26-2/h3-14H,1-2H3

description: This dataset contains experimental data from a sample (methyl 4-[4-(4-methoxycarbonylphenyl)phenyl]benzoate, InChI=1S/C22H18O4/c1-25-21(23)19-11-7-17(8-12-19)15-3-5-16(6-4-15)18-9-13-20(14-10-18)22(24)26-2/h3-14H,1-2H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS)
DOI: 10.14272/mcpqnudhoykajs-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (methyl 4-[4-(4-methoxycarbonylphenyl)phenyl]benzoate)
title: InChI=1S/C22H18O4/c1-25-21(23)19-11-7-17(8-12-19)15-3-5-16(6-4-15)18-9-13-20(14-10-18)22(24)26-2/h3-14H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 167.1 (2C, CO2CH3), 145.0 (2C, Cq), 139.9 (2C, Cq), 130.4 (4C, CH), 129.3 (2C, Cq), 128.0 (4C, CH), 127.1 (4C, CH), 52.3 (2C, CO2CH3).
DOI: 10.14272/mcpqnudhoykajs-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (methyl 4-[4-(4-methoxycarbonylphenyl)phenyl]benzoate)
title: InChI=1S/C22H18O4/c1-25-21(23)19-11-7-17(8-12-19)15-3-5-16(6-4-15)18-9-13-20(14-10-18)22(24)26-2/h3-14H,1-2H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 140 °C): 347 (23), 346 (100) [M]+, 316 (11), 315 (44) [M–OCH3]+, 288 (11), 228 (18) [M–CO2CH3–CO2CH3]+, 181 (31), 131 (25), 69 (46). HRMS–EI (m/z): [M]+ calcd for C22H18O4, 346.1205; found, 346.1197.
DOI: 10.14272/mcpqnudhoykajs-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (methyl 4-[4-(4-methoxycarbonylphenyl)phenyl]benzoate)
title: InChI=1S/C22H18O4/c1-25-21(23)19-11-7-17(8-12-19)15-3-5-16(6-4-15)18-9-13-20(14-10-18)22(24)26-2/h3-14H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.14–8.13 (m, 4H, CH), 7.74 (s, 4H, CH), 7.73–7.71 (m, 4H, CH), 3.96 (s, 6H, CO2CH3).