cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7910/dvn/3lor3r/0b2lqw
title: hourlyweather__inc_clean_and_vargen__and_GMTadj_nogaps_HS.do

description: creates hourlyweather_vargen_GMTadj_nogaps_HS.dta, a file of 6am-4pm weather averages adjusted for GMT to local time conversion, from raw weather and time zone data provided by Heyes & Saberian
DOI: 10.7910/dvn/3lor3r/fqgxut
title: organize_HS_improved_corrections.do

description: produces matched_HS_improved_corrections.dta from Heyes & Saberian's raw data (weather data having been pre-processed by hourlyweather__inc_clean_and_vargen__and_GMTadj_nogaps_HS.do)
DOI: 10.7910/dvn/3lor3r/murqxo
title: organize_HS_improved_corrections_stablestations.do

description: produces matched_HS_corrections_stablestations.dta from Heyes & Saberian's raw data (weather data having been pre-processed by hourlyweather__inc_clean_and_vargen__and_GMTadj_nogaps_HS.do)
DOI: 10.7910/dvn/3lor3r/bbobv7
title: analysis_code_revised.do

description: main analysis script producing the tables and statistics of the resubmission (July 2020)
DOI: 10.7910/dvn/3lor3r/enpry2
title: readme_for_dataverse_RR.docx

description: main readme -- really, read me!
DOI: 10.7910/dvn/3lor3r/ow9ycb
title: master_revised.do

description: master script calling all other scripts for the resubmission data assembly and analysis (except the scripts downloading and pre-cleaning weather and pollution data from NOAA and EPA)
DOI: 10.7910/dvn/3lor3r/ucpjsy
title: README.pdf

description: main readme file -- really, read me!
DOI: 10.7910/dvn/3lor3r/anfyrn
title: README.pdf

description: main readme file describing the content of this repository -- really, read me!
DOI: 10.7910/dvn/3lor3r/duiinp
title: README.pdf

description: main readme file describing the content of this repository -- really, read me!
DOI: 10.7910/dvn/3lor3r/m1glvc
title: README.pdf

description: main readme file describing the content of this repository -- really, read me!
DOI: 10.5281/zenodo.3976878
title: Biomarker and carbon isotopic evidence of marine incursions in the Himalayan Foreland Basin during its overfilled stage

description: The supporting tables provide an overview of the n-alkane and biomarker proxy ratios used to ascertain the organic sources and paleo-depositional conditions in the Tista valley sample in the eastern Himalayan foreland basin. A table has also been provided that show the biomarkers (hopane and steranes) that are identified in the Tista valley samples. Additionally, there are three consecutive tables that show temporal n-alkane, biomarker and d13C distribution in the sample.
DOI: 10.14272/rerprbpqdphwcz-uhfffaoysa-n.1
title: 4-[4-[4-(4-pyridyl)phenyl]phenyl]pyridine
title: InChI=1S/C22H16N2/c1-5-19(21-9-13-23-14-10-21)6-2-17(1)18-3-7-20(8-4-18)22-11-15-24-16-12-22/h1-16H

description: This dataset contains experimental data from a sample (4-[4-(4-pyridin-4-ylphenyl)phenyl]pyridine, InChI=1S/C22H16N2/c1-5-19(21-9-13-23-14-10-21)6-2-17(1)18-3-7-20(8-4-18)22-11-15-24-16-12-22/h1-16H). 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/rerprbpqdphwcz-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-[4-(4-pyridin-4-ylphenyl)phenyl]pyridine)
title: InChI=1S/C22H16N2/c1-5-19(21-9-13-23-14-10-21)6-2-17(1)18-3-7-20(8-4-18)22-11-15-24-16-12-22/h1-16H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (4500 MHz, CDCl3, ppm) δ = 8.70 (d, 4H, J = 6.0 Hz, CH), 7.79–7.75 (m, 8H, CH), 7.57 (d, 4H, J = 6.0 Hz, CH). Impurities: the spectrum contains water.
DOI: 10.14272/rerprbpqdphwcz-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-[4-(4-pyridin-4-ylphenyl)phenyl]pyridine)
title: InChI=1S/C22H16N2/c1-5-19(21-9-13-23-14-10-21)6-2-17(1)18-3-7-20(8-4-18)22-11-15-24-16-12-22/h1-16H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 150.5 (4C, CH), 147.8 (2C, Cq), 141.1 (2C, Cq), 137.6 (2C, Cq), 127.9 (4C, CH), 127.7 (4C, CH), 121.6 (4C, CH).
DOI: 10.14272/rerprbpqdphwcz-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-[4-(4-pyridin-4-ylphenyl)phenyl]pyridine)
title: InChI=1S/C22H16N2/c1-5-19(21-9-13-23-14-10-21)6-2-17(1)18-3-7-20(8-4-18)22-11-15-24-16-12-22/h1-16H

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 160 °C): 308 (100) [M]+. HRMS–EI (m/z): [M]+ calcd for C22H16N2, 308.1313; found, 308.1311.
DOI: 10.14272/rerprbpqdphwcz-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (4-[4-(4-pyridin-4-ylphenyl)phenyl]pyridine)
title: InChI=1S/C22H16N2/c1-5-19(21-9-13-23-14-10-21)6-2-17(1)18-3-7-20(8-4-18)22-11-15-24-16-12-22/h1-16H

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–EI (m/z): [M]+ calcd for C22H16N2, 308.1313; found, 308.1311.
DOI: 10.14272/zphxkzghhqxzkz-uhfffaoysa-n.1
title: 4-[4-(4-bromophenyl)phenyl]pyridine
title: InChI=1S/C17H12BrN/c18-17-7-5-15(6-8-17)13-1-3-14(4-2-13)16-9-11-19-12-10-16/h1-12H

description: This dataset contains experimental data from a sample (4-[4-(4-bromophenyl)phenyl]pyridine, InChI=1S/C17H12BrN/c18-17-7-5-15(6-8-17)13-1-3-14(4-2-13)16-9-11-19-12-10-16/h1-12H). 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/zphxkzghhqxzkz-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-[4-(4-bromophenyl)phenyl]pyridine)
title: InChI=1S/C17H12BrN/c18-17-7-5-15(6-8-17)13-1-3-14(4-2-13)16-9-11-19-12-10-16/h1-12H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.69 (d, 2H, J = 6.0 Hz, CH), 7.74–7.73 (m, 2H, CH), 7.70–7.68 (m, 2H, CH), 7.62–7.60 (m, 2H, CH), 7.53 (d, 2H, J = 6.0 Hz, CH), 7.52–7.51 (m, 2H, CH). Impurities: The spectrum contains impurities of ca. 10%.
DOI: 10.14272/zphxkzghhqxzkz-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-[4-(4-bromophenyl)phenyl]pyridine)
title: InChI=1S/C17H12BrN/c18-17-7-5-15(6-8-17)13-1-3-14(4-2-13)16-9-11-19-12-10-16/h1-12H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 150.3 (2C, CH), 147.6 (Cq), 140.7 (Cq), 139.1 (Cq), 137.3 (Cq), 132.0 (2C, CH), 128.6 (2C, CH), 127.6 (2C, CH), 127.5 (2C, CH), 122.1 (Cq), 121.4 (2C, CH). Impurities: The spectrum contains impurities of ca. 10% (according to 1H NMR data).
DOI: 10.14272/zphxkzghhqxzkz-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-[4-(4-bromophenyl)phenyl]pyridine)
title: InChI=1S/C17H12BrN/c18-17-7-5-15(6-8-17)13-1-3-14(4-2-13)16-9-11-19-12-10-16/h1-12H

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 100 °C): 311/309 (28/27) [M]+, 231 (69) [M–Br]+, 155 (100) [M–C6H4Br]+. HRMS–EI (m/z): [M]+ calcd for C17H12BrN, 309.0153; found, 309.0151.
DOI: 10.14272/zphxkzghhqxzkz-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (4-[4-(4-bromophenyl)phenyl]pyridine)
title: InChI=1S/C17H12BrN/c18-17-7-5-15(6-8-17)13-1-3-14(4-2-13)16-9-11-19-12-10-16/h1-12H

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–EI (m/z): [M]+ calcd for C17H12BrN, 309.0153; found, 309.0151.
DOI: 10.14272/wpzpjvxoqijqlo-uhfffaoysa-n.1
title: C22H18O6
title: InChI=1S/C22H18O6/c23-11-17-9-15(21(25)26)5-7-19(17)13-1-2-14(4-3-13)20-8-6-16(22(27)28)10-18(20)12-24/h1-10,23-24H,11-12H2,(H,25,26)(H,27,28)

description: This dataset contains experimental data from a sample (InChI=1S/C22H18O6/c23-11-17-9-15(21(25)26)5-7-19(17)13-1-2-14(4-3-13)20-8-6-16(22(27)28)10-18(20)12-24/h1-10,23-24H,11-12H2,(H,25,26)(H,27,28)). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/wpzpjvxoqijqlo-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C22H18O6/c23-11-17-9-15(21(25)26)5-7-19(17)13-1-2-14(4-3-13)20-8-6-16(22(27)28)10-18(20)12-24/h1-10,23-24H,11-12H2,(H,25,26)(H,27,28)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C (125 MHz, DMSO-d6, ppm) δ = 167.3 (2C, CO2H), 143.8 (2C, Cq), 139.9 (2C, Cq), 138.8 (2C, Cq), 130.0 (2C, Cq), 129.8 (2C, CH), 129.1 (2C, CH), 128.8 (2C, CH), 127.8 (4C, CH), 60.6 (2C, CH2OH). Impurities: The spectrum contains impurities of ca. 10% (according to 1H NMR data).
DOI: 10.14272/wpzpjvxoqijqlo-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C22H18O6/c23-11-17-9-15(21(25)26)5-7-19(17)13-1-2-14(4-3-13)20-8-6-16(22(27)28)10-18(20)12-24/h1-10,23-24H,11-12H2,(H,25,26)(H,27,28)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H (500 MHz, DMSO-d6, ppm) δ = 13.00 (bs, 2H, CO2H), 8.23 (s, 2H, CH), 7.91 (d, 2H, J = 7.5 Hz, CH), 7.51 (s, 4H, CH), 7.43 (d, 2H, J = 7.5 Hz, CH), 4.51 (s, 4H, CH2OH). Missing signals (2H, OH). Impurities: The spectrum contains impurities of ca. 10%.
DOI: 10.14272/imolflxwiuqufc-uhfffaoysa-n.2
title: 4-[2-(5-carboxy-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylic acid
title: InChI=1S/C17H10F6O4S2/c1-5-7(3-9(28-5)13(24)25)11-12(8-4-10(14(26)27)29-6(8)2)16(20,21)17(22,23)15(11,18)19/h3-4H,1-2H3,(H,24,25)(H,26,27)

description: This dataset contains experimental data from a sample (4-[2-(5-carboxy-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylic acid, InChI=1S/C17H10F6O4S2/c1-5-7(3-9(28-5)13(24)25)11-12(8-4-10(14(26)27)29-6(8)2)16(20,21)17(22,23)15(11,18)19/h3-4H,1-2H3,(H,24,25)(H,26,27)). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 19F nuclear magnetic resonance spectroscopy (19F NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/imolflxwiuqufc-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-[2-(5-carboxy-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylic acid)
title: InChI=1S/C17H10F6O4S2/c1-5-7(3-9(28-5)13(24)25)11-12(8-4-10(14(26)27)29-6(8)2)16(20,21)17(22,23)15(11,18)19/h3-4H,1-2H3,(H,24,25)(H,26,27)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, DMSO-d6, ppm) δ = 162.0 (2C, CO2H), 148.7 (2C, C5q), 133.2 (2C, C2q), 132.3 (2C, C3H), 124.5 (2C, C4q), 14.4 (2C, ArCH3). missing/invisible signals (5C, C5F6). Impurities: The spectrum shows a high amount of isopropanol (24 and 62 ppm).
DOI: 10.14272/imolflxwiuqufc-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (4-[2-(5-carboxy-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylic acid)
title: InChI=1S/C17H10F6O4S2/c1-5-7(3-9(28-5)13(24)25)11-12(8-4-10(14(26)27)29-6(8)2)16(20,21)17(22,23)15(11,18)19/h3-4H,1-2H3,(H,24,25)(H,26,27)

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (470 MHz, DMSO-d6, ppm) δ = -109.38 (4F, CF2), -130.71 (2F, CF2).
DOI: 10.14272/imolflxwiuqufc-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-[2-(5-carboxy-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylic acid)
title: InChI=1S/C17H10F6O4S2/c1-5-7(3-9(28-5)13(24)25)11-12(8-4-10(14(26)27)29-6(8)2)16(20,21)17(22,23)15(11,18)19/h3-4H,1-2H3,(H,24,25)(H,26,27)

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 130 °C): 457 (19), 456 (100) [M]+, 439 (17), 438 (51) [M–H–OH]+, 423 (44) [MH–OH–OH]+, 397 (21), 396 (19), 395 (62) [MH–OH–CO2H]+, 365 (19), 351 (17), 333 (19), 142 (22), 97 (22), 69 (22), 59 (18), 58 (39). HRMS–EI (m/z): [M]+ calcd for C17H10F6O4S2, 455.9925; found, 455.9918.
DOI: 10.14272/imolflxwiuqufc-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-[2-(5-carboxy-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylic acid)
title: InChI=1S/C17H10F6O4S2/c1-5-7(3-9(28-5)13(24)25)11-12(8-4-10(14(26)27)29-6(8)2)16(20,21)17(22,23)15(11,18)19/h3-4H,1-2H3,(H,24,25)(H,26,27)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DMSO-d6, ppm) δ = 13.43 (bs, 2H, CO2H), 7.68 (s, 2H, C3H), 1.97 (s, 6H, ArCH3). Impurities: The spectrum shows a high amount of isopropanol (1.04, 3.77 ppm).
DOI: 10.14272/imolflxwiuqufc-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (4-[2-(5-carboxy-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylic acid)
title: InChI=1S/C17H10F6O4S2/c1-5-7(3-9(28-5)13(24)25)11-12(8-4-10(14(26)27)29-6(8)2)16(20,21)17(22,23)15(11,18)19/h3-4H,1-2H3,(H,24,25)(H,26,27)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2975, 2925, 2875, 1686, 1546, 1467, 1405, 1385, 1334, 1304, 1262, 1187, 1157, 1134, 1117, 1063, 1035, 983, 943, 896, 892, 875, 834, 816, 772, 753, 728, 701, 664, 647, 622, 599, 566, 538, 513, 493, 476, 418, 378 cm–1.
DOI: 10.14272/gyjbdjgundkzko-uhfffaoysa-n.1
title: 4-(4-bromophenyl)pyridine
title: InChI=1S/C11H8BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8H

description: This dataset contains experimental data from a sample (4-(4-bromophenyl)pyridine, InChI=1S/C11H8BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8H). 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/gyjbdjgundkzko-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-(4-bromophenyl)pyridine)
title: InChI=1S/C11H8BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.66 (d, 2H, J = 6.0 Hz, CH), 7.63–7.61 (m, 2H, CH), 7.51–7.49 (m, 2H, CH), 7.46 (d, 2H, J = 6.0 Hz, CH). Impurities: the spectrum contains aromatic impurities.
DOI: 10.14272/gyjbdjgundkzko-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-(4-bromophenyl)pyridine)
title: InChI=1S/C11H8BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8H

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 30 °C): 235/233 (91/100) [M]+. HRMS–EI (m/z): [M]+ calcd for C11H8BrN, 232.9840; found, 232.9839.
DOI: 10.14272/gyjbdjgundkzko-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-(4-bromophenyl)pyridine)
title: InChI=1S/C11H8BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 150.5 (2C, CH), 147.3 (Cq), 137.2 (Cq), 132.4 (2C, CH), 128.7 (2C, CH), 123.7 (Cq), 121.5 (2C, CH). Impurities: the spectrum contains aromatic impurities.
DOI: 10.14272/gyjbdjgundkzko-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (4-(4-bromophenyl)pyridine)
title: InChI=1S/C11H8BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8H

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–EI (m/z): [M]+ calcd for C11H8BrN, 232.9840; found, 232.9839.
DOI: 10.21227/9dgr-ad66
title: South Asian Website Privacy Policy Dataset

description: This dataset contains a list of 284 popular websites and URLs to their privacy statements. The websites belong to the three largest South Asian economies, namely, India, Pakistan, and Bangladesh. Each website is categorized into 10 sectors, namely, e-commerce, finance/banking, education, healthcare, news, government, telecom, buy and sell, job/freelance, and blogging/discussion. We hope that this dataset will help researchers in investigating website privacy compliance.
DOI: 10.21227/1rfd-wc17
title: A Conditional Adversarial Network for Single Plane Wave Beamforming

description: Compared to traditional focused transmissions, plane wave (PW) ultrasound imaging could enable higher frame rates by over a hundred fold, which is clinically relevant to real-time applications and ultrafast imaging. However, along with reducing acquisition time, PW imaging is confounded by image quality degradation, acoustic clutter, and speckle noise. To tackle this problem, we present a deep learning-based method to analyze raw radiofrequency (RF) channel data acquired by the ultrasound probe and convert this signal to the final Bmode image, bypassing the traditional beamforming procedure. The deep learning architecture relies on a conditional generative adversarial network (cGAN), in which the generative model and classifying model work simultaneously to produce an indistinguishable output from a ground truth. The cGAN was trained to predict B-mode images that look like beamformed PW results after multiple insonifications. This network was trained and tested utilizing a publicly accessible PICMUS database composed of in vivo and ex vivo ultrasound inclusions with randomly distributed scatterers in various combinations. The proposed method produces signal-to-noise ratio (SNR) enhancements from 1.112 to 1.540 when compared with conventional delay-andsum (DAS) beamforming of a single PW insonification. The cross correlation coefficient between a 75 plane wave image and cGAN-predicted data is 0.976, compared to 0.641 with DAS beamforming of a single PW insonification. These results demonstrate the feasibility of using this adversarial network to substitute traditional DAS beamforming in future applications.
DOI: 10.14272/rrdnelkbapfebo-uhfffaoysa-n.1
title: 3-azido-4-(4-carboxyphenyl)benzoic acid
title: InChI=1S/C14H9N3O4/c15-17-16-12-7-10(14(20)21)5-6-11(12)8-1-3-9(4-2-8)13(18)19/h1-7H,(H,18,19)(H,20,21)

description: This dataset contains experimental data from a sample (3-azido-4-(4-carboxyphenyl)benzoic acid, InChI=1S/C14H9N3O4/c15-17-16-12-7-10(14(20)21)5-6-11(12)8-1-3-9(4-2-8)13(18)19/h1-7H,(H,18,19)(H,20,21)). 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/rrdnelkbapfebo-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-azido-4-(4-carboxyphenyl)benzoic acid)
title: InChI=1S/C14H9N3O4/c15-17-16-12-7-10(14(20)21)5-6-11(12)8-1-3-9(4-2-8)13(18)19/h1-7H,(H,18,19)(H,20,21)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DMSO-d6, ppm) δ = 13.23 (bs, 2H, CO2H), 8.03–8.01 (m, 2H, CH), 7.85 (s, 1H, CH), 7.83 (d, 1H, J = 8.0 Hz, CH), 7.65–7.63 (m, 2H, CH), 7.56 (d, 1H, J = 8.0 Hz, CH).
DOI: 10.14272/rrdnelkbapfebo-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3-azido-4-(4-carboxyphenyl)benzoic acid)
title: InChI=1S/C14H9N3O4/c15-17-16-12-7-10(14(20)21)5-6-11(12)8-1-3-9(4-2-8)13(18)19/h1-7H,(H,18,19)(H,20,21)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, DMSO-d6, ppm) δ = 167.0 (CO2H), 166.3 (CO2H), 141.1 (Cq), 137.2 (Cq), 135.7 (Cq), 131.9 (Cq), 131.4 (CH), 130.2 (Cq), 129.6 (2C, CH), 129.2 (2C, CH), 126.0 (CH), 119.9 (CH).
DOI: 10.14272/rrdnelkbapfebo-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (3-azido-4-(4-carboxyphenyl)benzoic acid)
title: InChI=1S/C14H9N3O4/c15-17-16-12-7-10(14(20)21)5-6-11(12)8-1-3-9(4-2-8)13(18)19/h1-7H,(H,18,19)(H,20,21)

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 220 °C): 283 (30) [M]+, 255 (45) [M–N2]+, 238 (13) [M–N2–OH]+, 211 (100).
DOI: 10.14272/rrdnelkbapfebo-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (3-azido-4-(4-carboxyphenyl)benzoic acid)
title: InChI=1S/C14H9N3O4/c15-17-16-12-7-10(14(20)21)5-6-11(12)8-1-3-9(4-2-8)13(18)19/h1-7H,(H,18,19)(H,20,21)

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–EI (m/z): [M]+ calcd for C14H9N3O4, 283.0588; found, 283.0588.
DOI: 10.14272/bhyvlcmzdjpyar-uhfffaoysa-n.1
title: C24H20Br2O4
title: InChI=1S/C24H20Br2O4/c1-29-23(27)17-7-3-15(4-8-17)21-11-20(14-26)22(12-19(21)13-25)16-5-9-18(10-6-16)24(28)30-2/h3-12H,13-14H2,1-2H3

description: This dataset contains experimental data from a sample (methyl 4-[2,5-bis(bromomethyl)-4-(4-methoxycarbonylphenyl)phenyl]benzoate, InChI=1S/C24H20Br2O4/c1-29-23(27)17-7-3-15(4-8-17)21-11-20(14-26)22(12-19(21)13-25)16-5-9-18(10-6-16)24(28)30-2/h3-12H,13-14H2,1-2H3). 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) high-resolution mass spectrometry (HRMS) mass spectrometry (MS)
DOI: 10.14272/bhyvlcmzdjpyar-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (methyl 4-[2,5-bis(bromomethyl)-4-(4-methoxycarbonylphenyl)phenyl]benzoate)
title: InChI=1S/C24H20Br2O4/c1-29-23(27)17-7-3-15(4-8-17)21-11-20(14-26)22(12-19(21)13-25)16-5-9-18(10-6-16)24(28)30-2/h3-12H,13-14H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.17–8.16 (m, 4H, CH), 7.59–7.57 (m, 4H, CH), 7.44 (s, 2H, CH), 4.42 (s, 4H, CH2Br), 3.97 (s, 6H, CO2CH3). Impurities: the spectrum contains ca. 10% aromatic impurities.
DOI: 10.14272/bhyvlcmzdjpyar-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (methyl 4-[2,5-bis(bromomethyl)-4-(4-methoxycarbonylphenyl)phenyl]benzoate)
title: InChI=1S/C24H20Br2O4/c1-29-23(27)17-7-3-15(4-8-17)21-11-20(14-26)22(12-19(21)13-25)16-5-9-18(10-6-16)24(28)30-2/h3-12H,13-14H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 167.0 (2C, CO2CH3), 143.9 (2C, Cq), 141.4 (2C, Cq), 135.9 (2C, Cq), 133.0 (2C, CH), 130.0 (4C, CH), 129.9 (2C, Cq), 129.2 (4C, CH), 52.4 (2C, CO2CH3), 30.9 (2C, CH2Br). Impurities: the spectrum contains ca. 10% aromatic impurities (according to 1H NMR data).
DOI: 10.14272/bhyvlcmzdjpyar-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (methyl 4-[2,5-bis(bromomethyl)-4-(4-methoxycarbonylphenyl)phenyl]benzoate)
title: InChI=1S/C24H20Br2O4/c1-29-23(27)17-7-3-15(4-8-17)21-11-20(14-26)22(12-19(21)13-25)16-5-9-18(10-6-16)24(28)30-2/h3-12H,13-14H2,1-2H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 190 °C): 534/532/530 (22/35/12) [M]+, 453/451 (78/96) [M–Br]+.
DOI: 10.14272/bhyvlcmzdjpyar-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) (methyl 4-[2,5-bis(bromomethyl)-4-(4-methoxycarbonylphenyl)phenyl]benzoate)
title: InChI=1S/C24H20Br2O4/c1-29-23(27)17-7-3-15(4-8-17)21-11-20(14-26)22(12-19(21)13-25)16-5-9-18(10-6-16)24(28)30-2/h3-12H,13-14H2,1-2H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 190 °C): 534/532/530 (9/15/9) [M]+, 453/451 (35/34) [M–Br]+, 373 (16), 371 (10), 341 (10), 327 (17), 314 (22), 313 (38), 312 (12), 299 (10), 281 (18), 270 (8), 269 (18), 268 (24), 267 (9), 255 (22), 254 (91), 253 (100), 252 (78), 239 (15), 78 (9), 59 (46).
DOI: 10.14272/bhyvlcmzdjpyar-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (methyl 4-[2,5-bis(bromomethyl)-4-(4-methoxycarbonylphenyl)phenyl]benzoate)
title: InChI=1S/C24H20Br2O4/c1-29-23(27)17-7-3-15(4-8-17)21-11-20(14-26)22(12-19(21)13-25)16-5-9-18(10-6-16)24(28)30-2/h3-12H,13-14H2,1-2H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–EI (m/z): [M]+ calcd for C24H20O4Br2, 529.9723; found, 529.9724.
DOI: 10.7910/dvn/jm8amo/y9kk1v
title: c99 shell.php

description: :unav
DOI: 10.7910/dvn/jm8amo
title: cyber test

description: :unav
DOI: 10.25345/c5g74s
title: MassIVE MSV000085931 - Aspergillus_Metabolomics_Under_Saltstress
title: Untargeted metabolomics analysis of Aspergillum sydowii grown under low and high sodium chloride conditions. Cell-free supernatants extracts were collected for analysis.