cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/roxlwzlnqxfred-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C18H21N9O6/c1-7(2)31-16(28)10-13(22-25-19)11(17(29)32-8(3)4)15(24-27-21)12(14(10)23-26-20)18(30)33-9(5)6/h7-9H,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2980 (w), 2935 (w), 2876 (vw), 2140 (w), 2109 (vs), 1720 (vs), 1707 (vs), 1562 (vs), 1455 (w), 1415 (m), 1390 (w), 1374 (m), 1349 (w), 1337 (w), 1289 (vs), 1264 (vs), 1225 (vs), 1181 (s), 1164 (m), 1145 (s), 1096 (vs), 987 (s), 925 (m), 914 (s), 882 (m), 853 (w), 826 (s), 813 (m), 798 (w), 779 (w), 749 (w), 708 (w), 684 (w), 586 (m), 561 (w), 540 (w), 526 (m), 504 (w), 499 (w), 486 (w), 459 (w), 449 (w), 428 (m), 394 (vw), 387 (vw) cm–1.
DOI: 10.6084/m9.figshare.19225245.v2
title: Data tables for the paper entitled "Reconstruction of empirical Solar System and Earth-Moon dynamical parameters for the past 2.5 billion years from cyclostratigraphy"

description: Table S1 are the cyclostratigraphy data and Table S2 are the reconstructed Eath-Moon separation history.
DOI: 10.14272/jybszbkaerxmlg-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C21H33N3O6/c1-19(2,3)28-16(25)10-13(22)11(17(26)29-20(4,5)6)15(24)12(14(10)23)18(27)30-21(7,8)9/h22-24H2,1-9H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 425 (12), 424 (51) [M+H]+, 423 (42) [M]+, 350 (15), 311 (10), 256 (40), 255 (100), 239 (10), 238 (79), 220 (18), 194 (20), 193 (29), 154 (29), 138 (11), 137 (18), 136 (23).
DOI: 10.14272/jybszbkaerxmlg-uhfffaoysa-n.1
title: Tri(tert-Butyl) 2,4,6-triaminobenzene-1,3,5-tricarboxylate
title: InChI=1S/C21H33N3O6/c1-19(2,3)28-16(25)10-13(22)11(17(26)29-20(4,5)6)15(24)12(14(10)23)18(27)30-21(7,8)9/h22-24H2,1-9H3

description: This dataset contains experimental data from a sample (InChI=1S/C21H33N3O6/c1-19(2,3)28-16(25)10-13(22)11(17(26)29-20(4,5)6)15(24)12(14(10)23)18(27)30-21(7,8)9/h22-24H2,1-9H3). The datasets from the following experiments are available: fast-atom bombardment mass spectrometry (FABMS) high-resolution mass spectrometry (HRMS) infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/jybszbkaerxmlg-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C21H33N3O6/c1-19(2,3)28-16(25)10-13(22)11(17(26)29-20(4,5)6)15(24)12(14(10)23)18(27)30-21(7,8)9/h22-24H2,1-9H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3458 (s), 3272 (w), 3237 (w), 3221 (w), 3200 (w), 3155 (vw), 3007 (w), 2976 (w), 2929 (w), 2884 (vw), 1638 (s), 1577 (vs), 1526 (m), 1475 (m), 1452 (m), 1426 (w), 1387 (m), 1363 (s), 1302 (vw), 1235 (vs), 1159 (s), 1132 (vs), 1071 (vs), 924 (m), 902 (m), 861 (s), 800 (vs), 771 (m), 728 (w), 717 (w), 667 (w), 622 (vw), 609 (vw), 595 (vw), 578 (vw), 568 (vw), 554 (vw), 516 (s), 465 (vs), 385 (w) cm–1.
DOI: 10.14272/jybszbkaerxmlg-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C21H33N3O6/c1-19(2,3)28-16(25)10-13(22)11(17(26)29-20(4,5)6)15(24)12(14(10)23)18(27)30-21(7,8)9/h22-24H2,1-9H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3): δ [ppm] = 8.69 (s, 6H, NH2), 1.60 (s, 27H, CH3).
DOI: 10.14272/jybszbkaerxmlg-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C21H33N3O6/c1-19(2,3)28-16(25)10-13(22)11(17(26)29-20(4,5)6)15(24)12(14(10)23)18(27)30-21(7,8)9/h22-24H2,1-9H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d): δ [ppm]= 168.5 (3C), 158.8 (3C), 87.8 (3C), 82.03 (3C), 28.7 (9C).
DOI: 10.14272/jybszbkaerxmlg-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C21H33N3O6/c1-19(2,3)28-16(25)10-13(22)11(17(26)29-20(4,5)6)15(24)12(14(10)23)18(27)30-21(7,8)9/h22-24H2,1-9H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–FAB (m/z): [M + H]+ calcd for C21H34O6N3: 424.2442; found 242.2443.
DOI: 10.14272/hcvsnxjknaaqbq-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C15H21N3O6/c1-4-22-13(19)7-10(16)8(14(20)23-5-2)12(18)9(11(7)17)15(21)24-6-3/h4-6,16-18H2,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3469 (s), 3452 (s), 3262 (m), 3228 (m), 3119 (w), 2976 (w), 2934 (w), 2907 (w), 2870 (w), 1664 (s), 1645 (s), 1562 (vs), 1514 (vs), 1475 (m), 1445 (vs), 1391 (s), 1213 (vs), 1154 (vs), 1119 (s), 1071 (vs), 1014 (vs), 902 (s), 868 (s), 806 (vs), 785 (s), 721 (vs), 681 (m), 667 (vs), 473 (vs), 448 (vs), 399 (vs), 380 (vs) cm–1.
DOI: 10.14272/hcvsnxjknaaqbq-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C15H21N3O6/c1-4-22-13(19)7-10(16)8(14(20)23-5-2)12(18)9(11(7)17)15(21)24-6-3/h4-6,16-18H2,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3): δ [ppm] = 8.82 (s, 6H, NH2), 4.37 (q, J = 7.1 Hz, 6H, CH2), 1.40 (t, J = 7.1 Hz, 9H, CH3).
DOI: 10.14272/hcvsnxjknaaqbq-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C15H21N3O6/c1-4-22-13(19)7-10(16)8(14(20)23-5-2)12(18)9(11(7)17)15(21)24-6-3/h4-6,16-18H2,1-3H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–FAB (m/z): [M]+ calcd for C15H21O6N3: 339.1425; found 339.1426.
DOI: 10.14272/hcvsnxjknaaqbq-uhfffaoysa-n.1
title: Triethyl 2,4,6-triaminobenzene-1,3,5-tricarboxylate
title: InChI=1S/C15H21N3O6/c1-4-22-13(19)7-10(16)8(14(20)23-5-2)12(18)9(11(7)17)15(21)24-6-3/h4-6,16-18H2,1-3H3

description: This dataset contains experimental data from a sample (InChI=1S/C15H21N3O6/c1-4-22-13(19)7-10(16)8(14(20)23-5-2)12(18)9(11(7)17)15(21)24-6-3/h4-6,16-18H2,1-3H3). The datasets from the following experiments are available: 13C nuclear magnetic resonance spectroscopy (13C NMR) 1H nuclear magnetic resonance spectroscopy (1H NMR) fast-atom bombardment mass spectrometry (FABMS) high-resolution mass spectrometry (HRMS) infrared absorption spectroscopy (IR)
DOI: 10.14272/hcvsnxjknaaqbq-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C15H21N3O6/c1-4-22-13(19)7-10(16)8(14(20)23-5-2)12(18)9(11(7)17)15(21)24-6-3/h4-6,16-18H2,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d): δ [ppm] = 168.8 (3C, CO2R), 159.3 (3C, CArNH2), 86.6 (3C, CArCO2R), 60.4 (3C, CH2), 4.5 (3C, CH3).
DOI: 10.14272/hcvsnxjknaaqbq-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C15H21N3O6/c1-4-22-13(19)7-10(16)8(14(20)23-5-2)12(18)9(11(7)17)15(21)24-6-3/h4-6,16-18H2,1-3H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 341 (11), 340 (64), 339 (100) [M]+, 295 (13), 294 (80), 267 (12), 248 (19), 221 (16).
DOI: 10.14272/zfitvfrkcnnfjg-uhfffaoysa-n.1
title: Triethyl-2,4,6-triazidobenzene-1,3,5-tricarboxylate
title: InChI=1S/C15H15N9O6/c1-4-28-13(25)7-10(19-22-16)8(14(26)29-5-2)12(21-24-18)9(11(7)20-23-17)15(27)30-6-3/h4-6H2,1-3H3

description: This dataset contains experimental data from a sample (InChI=1S/C15H15N9O6/c1-4-28-13(25)7-10(19-22-16)8(14(26)29-5-2)12(21-24-18)9(11(7)20-23-17)15(27)30-6-3/h4-6H2,1-3H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR) fast-atom bombardment mass spectrometry (FABMS) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/zfitvfrkcnnfjg-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C15H15N9O6/c1-4-28-13(25)7-10(19-22-16)8(14(26)29-5-2)12(21-24-18)9(11(7)20-23-17)15(27)30-6-3/h4-6H2,1-3H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 532 (10), 531 (28), 442 (11), 441 (33), 418 (26) [M+H]+, 417 (30) [M]+, 403 (17), 391 (38), 390 (86), 389 (13), 373 (12), 372 (63), 345 (12), 344 (23), 290 (11), 289 (13), 260 (15), 234 (11), 233 (10), 232 (19), 219 (13), 218 (10), 217 (13), 216 (17), 206 (17), 205 (14), 204 (14), 195 (10), 191 (15), 190 (16), 189 (21), 188 (52), 187 (11), 186 (25), 182 (15), 179 (10), 177 (14), 173 (11), 172 (13), 167 (14), 166 (14), 165 (14), 164 (10), 162 (13), 161 (20), 160 (30), 159 (16), 155 (25), 154 (83), 153 (11), 152 (17), 151 (11), 150 (16), 149 (15), 147 (47), 145 (13), 139 (20), 138 (35), 137 (100), 136 (95), 135 (13), 134 (10), 133 (13), 131 (18), 129 (16), 128 (14), 124 (20), 123 (16), 121 (15), 120 (16), 119 (19), 117 (15), 115 (16), 111 (15), 109 (28), 107 (28), 105 (20), 97 (46), 95 (29), 93 (28), 91 (25), 90 (13), 89 (11)
DOI: 10.14272/zfitvfrkcnnfjg-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C15H15N9O6/c1-4-28-13(25)7-10(19-22-16)8(14(26)29-5-2)12(21-24-18)9(11(7)20-23-17)15(27)30-6-3/h4-6H2,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3): δ [ppm] = 4.45 (q, J = 7.0 Hz, 6H, CH2), 1.42 (t, J = 7.1 Hz, 9H, CH3).
DOI: 10.14272/zfitvfrkcnnfjg-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C15H15N9O6/c1-4-28-13(25)7-10(19-22-16)8(14(26)29-5-2)12(21-24-18)9(11(7)20-23-17)15(27)30-6-3/h4-6H2,1-3H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–FAB (m/z): [M]+ calcd for C15H15O6N9: 417.1140; found 417.1141.
DOI: 10.14272/zfitvfrkcnnfjg-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C15H15N9O6/c1-4-28-13(25)7-10(19-22-16)8(14(26)29-5-2)12(21-24-18)9(11(7)20-23-17)15(27)30-6-3/h4-6H2,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 163.3 (3C), 137.5 (3C), 119.6 (3C), 62.8 (3C), 14.0 (3C).
DOI: 10.14272/zfitvfrkcnnfjg-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C15H15N9O6/c1-4-28-13(25)7-10(19-22-16)8(14(26)29-5-2)12(21-24-18)9(11(7)20-23-17)15(27)30-6-3/h4-6H2,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2990 (w), 2965 (w), 2942 (w), 2113 (vs), 1731 (vs), 1713 (vs), 1561 (vs), 1462 (w), 1443 (w), 1422 (m), 1384 (w), 1377 (m), 1363 (s), 1307 (s), 1281 (vs), 1256 (vs), 1211 (vs), 1176 (vs), 1160 (vs), 1133 (s), 1115 (m), 1092 (s), 1017 (vs), 972 (s), 911 (m), 892 (m), 860 (s), 834 (m), 803 (w), 782 (m), 766 (w), 747 (w), 734 (m), 715 (m), 652 (w), 612 (s), 584 (m), 560 (w), 523 (s), 487 (w), 458 (w), 431 (w), 425 (w), 418 (w), 405 (w), 384 (m) cm–1.
DOI: 10.14272/utslqyvrsxytgw-uhfffaoysa-n.1
title: Trimethyl-2,4,6-tris(diethylamino)benzene-1,3,5-tricarboxylate
title: InChI=1S/C54H51N3O6/c1-61-52(58)46-49(55(34-40-22-10-4-11-23-40)35-41-24-12-5-13-25-41)47(53(59)62-2)51(57(38-44-30-18-8-19-31-44)39-45-32-20-9-21-33-45)48(54(60)63-3)50(46)56(36-42-26-14-6-15-27-42)37-43-28-16-7-17-29-43/h4-33H,34-39H2,1-3H3

description: This dataset contains experimental data from a sample (InChI=1S/C54H51N3O6/c1-61-52(58)46-49(55(34-40-22-10-4-11-23-40)35-41-24-12-5-13-25-41)47(53(59)62-2)51(57(38-44-30-18-8-19-31-44)39-45-32-20-9-21-33-45)48(54(60)63-3)50(46)56(36-42-26-14-6-15-27-42)37-43-28-16-7-17-29-43/h4-33H,34-39H2,1-3H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) heteronuclear single quantum coherence (HSQC) heteronuclear multiple bond coherence (HMBC) infrared absorption spectroscopy (IR) fast-atom bombardment mass spectrometry (FABMS) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/utslqyvrsxytgw-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C54H51N3O6/c1-61-52(58)46-49(55(34-40-22-10-4-11-23-40)35-41-24-12-5-13-25-41)47(53(59)62-2)51(57(38-44-30-18-8-19-31-44)39-45-32-20-9-21-33-45)48(54(60)63-3)50(46)56(36-42-26-14-6-15-27-42)37-43-28-16-7-17-29-43/h4-33H,34-39H2,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d): δ [ppm] = 168.5 (3C), 148.2 (3C) , 138.2 (6C), 132.3 (3C), 129.2 (12C), 127.9 (12C), 126.9 (6C), 57.1 (6C), 52.1 (3C).
DOI: 10.14272/utslqyvrsxytgw-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C54H51N3O6/c1-61-52(58)46-49(55(34-40-22-10-4-11-23-40)35-41-24-12-5-13-25-41)47(53(59)62-2)51(57(38-44-30-18-8-19-31-44)39-45-32-20-9-21-33-45)48(54(60)63-3)50(46)56(36-42-26-14-6-15-27-42)37-43-28-16-7-17-29-43/h4-33H,34-39H2,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3087 (vw), 3064 (vw), 3030 (w), 3006 (vw), 2949 (w), 2924 (w), 2890 (w), 2871 (w), 2847 (w), 2830 (w), 2809 (vw), 1949 (vw), 1737 (vs), 1711 (vs), 1604 (w), 1585 (w), 1551 (m), 1494 (m), 1479 (w), 1452 (m), 1438 (w), 1415 (m), 1390 (w), 1363 (m), 1332 (w), 1302 (w), 1249 (s), 1227 (vs), 1211 (vs), 1183 (s), 1153 (w), 1118 (s), 1075 (m), 1028 (w), 993 (m), 958 (s), 919 (w), 911 (w), 891 (w), 844 (w), 832 (w), 795 (vw), 739 (vs), 730 (vs), 697 (vs), 656 (s), 620 (w), 611 (m), 592 (w), 572 (w), 555 (w), 541 (w), 507 (m), 487 (s), 473 (m), 460 (m), 441 (w), 407 (w), 394 (w) cm–1.
DOI: 10.14272/utslqyvrsxytgw-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C54H51N3O6/c1-61-52(58)46-49(55(34-40-22-10-4-11-23-40)35-41-24-12-5-13-25-41)47(53(59)62-2)51(57(38-44-30-18-8-19-31-44)39-45-32-20-9-21-33-45)48(54(60)63-3)50(46)56(36-42-26-14-6-15-27-42)37-43-28-16-7-17-29-43/h4-33H,34-39H2,1-3H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 838 (10) [M+H]+, 778 (13), 747 (14), 746 (24), 663 (11), 121 (11), 91 (100).
DOI: 10.14272/utslqyvrsxytgw-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C54H51N3O6/c1-61-52(58)46-49(55(34-40-22-10-4-11-23-40)35-41-24-12-5-13-25-41)47(53(59)62-2)51(57(38-44-30-18-8-19-31-44)39-45-32-20-9-21-33-45)48(54(60)63-3)50(46)56(36-42-26-14-6-15-27-42)37-43-28-16-7-17-29-43/h4-33H,34-39H2,1-3H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–FAB (m/z): [M+H]+ calcd for C54H52O6N3: 838.3851; found 838.3853.
DOI: 10.14272/utslqyvrsxytgw-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C54H51N3O6/c1-61-52(58)46-49(55(34-40-22-10-4-11-23-40)35-41-24-12-5-13-25-41)47(53(59)62-2)51(57(38-44-30-18-8-19-31-44)39-45-32-20-9-21-33-45)48(54(60)63-3)50(46)56(36-42-26-14-6-15-27-42)37-43-28-16-7-17-29-43/h4-33H,34-39H2,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3): δ [ ppm] = 7.26–7.23 (m, 17H), 7.17–7.14 (m, 13H), 4.05 (s, 12H), 3.68 (s, 9H).
DOI: 10.14272/utslqyvrsxytgw-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C54H51N3O6/c1-61-52(58)46-49(55(34-40-22-10-4-11-23-40)35-41-24-12-5-13-25-41)47(53(59)62-2)51(57(38-44-30-18-8-19-31-44)39-45-32-20-9-21-33-45)48(54(60)63-3)50(46)56(36-42-26-14-6-15-27-42)37-43-28-16-7-17-29-43/h4-33H,34-39H2,1-3H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/utslqyvrsxytgw-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) ()
title: InChI=1S/C54H51N3O6/c1-61-52(58)46-49(55(34-40-22-10-4-11-23-40)35-41-24-12-5-13-25-41)47(53(59)62-2)51(57(38-44-30-18-8-19-31-44)39-45-32-20-9-21-33-45)48(54(60)63-3)50(46)56(36-42-26-14-6-15-27-42)37-43-28-16-7-17-29-43/h4-33H,34-39H2,1-3H3

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/jhaxfhtyokxuin-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H27N3O6/c1-19(2)13-10(16(22)25-7)14(20(3)4)12(18(24)27-9)15(21(5)6)11(13)17(23)26-8/h1-9H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 3.87 (s, 9H, OCH3), 2.70 (s, 18H, N(CH3)2).
DOI: 10.14272/jhaxfhtyokxuin-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C18H27N3O6/c1-19(2)13-10(16(22)25-7)14(20(3)4)12(18(24)27-9)15(21(5)6)11(13)17(23)26-8/h1-9H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 383 (20), 382 (100) [M+H]+, 381 (92) [M]+, 380 (78) [M-H]+, 351 (12), 350 (56), 322 (36), 154 (26), 138 (11), 137 (16), 136 (18), 95 (11), 91 (13).
DOI: 10.14272/jhaxfhtyokxuin-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C18H27N3O6/c1-19(2)13-10(16(22)25-7)14(20(3)4)12(18(24)27-9)15(21(5)6)11(13)17(23)26-8/h1-9H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–FAB (m/z): [M]+ calcd for C18H27O6N3: 381.1894; found 381.1896.
DOI: 10.14272/jhaxfhtyokxuin-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C18H27N3O6/c1-19(2)13-10(16(22)25-7)14(20(3)4)12(18(24)27-9)15(21(5)6)11(13)17(23)26-8/h1-9H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2995 (vw), 2948 (w), 2925 (w), 2895 (w), 2867 (w), 2850 (w), 2798 (w), 1718 (vs), 1550 (s), 1483 (w), 1449 (m), 1435 (w), 1404 (m), 1334 (w), 1298 (m), 1289 (m), 1217 (vs), 1203 (vs), 1125 (w), 1098 (w), 1058 (m), 986 (vs), 955 (w), 939 (w), 890 (w), 820 (m), 810 (w), 751 (w), 721 (w), 639 (w), 619 (m), 484 (w), 439 (w), 429 (w), 382 (w) cm–1.
DOI: 10.14272/jhaxfhtyokxuin-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H27N3O6/c1-19(2)13-10(16(22)25-7)14(20(3)4)12(18(24)27-9)15(21(5)6)11(13)17(23)26-8/h1-9H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d): δ [ppm] = 168.7 (3C), 150.5 (3C), 129.2 (3C), 52.2 (3C), 43.8 (6C).
DOI: 10.14272/jhaxfhtyokxuin-uhfffaoysa-n.1
title: Trimethyl-2,4,6-tris(dimethylamino)benzene-1,3,5-tricarboxylate
title: InChI=1S/C18H27N3O6/c1-19(2)13-10(16(22)25-7)14(20(3)4)12(18(24)27-9)15(21(5)6)11(13)17(23)26-8/h1-9H3

description: This dataset contains experimental data from a sample (InChI=1S/C18H27N3O6/c1-19(2)13-10(16(22)25-7)14(20(3)4)12(18(24)27-9)15(21(5)6)11(13)17(23)26-8/h1-9H3). The datasets from the following experiments are available: 13C nuclear magnetic resonance spectroscopy (13C NMR) 1H nuclear magnetic resonance spectroscopy (1H NMR) fast-atom bombardment mass spectrometry (FABMS) high-resolution mass spectrometry (HRMS) infrared absorption spectroscopy (IR)
DOI: 10.14272/rpbkgfqgwrgasm-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) ()
title: InChI=1S/C24H39N3O6/c1-10-25(11-2)19-16(22(28)31-7)20(26(12-3)13-4)18(24(30)33-9)21(27(14-5)15-6)17(19)23(29)32-8/h10-15H2,1-9H3

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/rpbkgfqgwrgasm-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C24H39N3O6/c1-10-25(11-2)19-16(22(28)31-7)20(26(12-3)13-4)18(24(30)33-9)21(27(14-5)15-6)17(19)23(29)32-8/h10-15H2,1-9H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2973 (w), 2949 (w), 2934 (w), 2846 (w), 1728 (vs), 1554 (m), 1446 (w), 1421 (m), 1378 (m), 1360 (w), 1334 (w), 1299 (w), 1225 (vs), 1197 (vs), 1173 (vs), 1120 (m), 1088 (w), 1064 (m), 1006 (vs), 975 (m), 874 (w), 816 (w), 799 (w), 771 (w), 741 (w), 727 (vw), 629 (m), 503 (w), 426 (vw) cm–1.
DOI: 10.14272/rpbkgfqgwrgasm-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C24H39N3O6/c1-10-25(11-2)19-16(22(28)31-7)20(26(12-3)13-4)18(24(30)33-9)21(27(14-5)15-6)17(19)23(29)32-8/h10-15H2,1-9H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d): δ [ppm] = 168.7 (3C), 147.8 (3C), 133.9 (3C), 51.9 (3C,), 48.0 (6C), 14.1 (6C).
DOI: 10.14272/rpbkgfqgwrgasm-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C24H39N3O6/c1-10-25(11-2)19-16(22(28)31-7)20(26(12-3)13-4)18(24(30)33-9)21(27(14-5)15-6)17(19)23(29)32-8/h10-15H2,1-9H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/rpbkgfqgwrgasm-uhfffaoysa-n.1
title: Trimethyl-2,4,6-tris(diethylamino)benzene-1,3,5-tricarboxylate
title: InChI=1S/C24H39N3O6/c1-10-25(11-2)19-16(22(28)31-7)20(26(12-3)13-4)18(24(30)33-9)21(27(14-5)15-6)17(19)23(29)32-8/h10-15H2,1-9H3

description: This dataset contains experimental data from a sample (InChI=1S/C24H39N3O6/c1-10-25(11-2)19-16(22(28)31-7)20(26(12-3)13-4)18(24(30)33-9)21(27(14-5)15-6)17(19)23(29)32-8/h10-15H2,1-9H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) heteronuclear single quantum coherence (HSQC) heteronuclear multiple bond coherence (HMBC) infrared absorption spectroscopy (IR) fast-atom bombardment mass spectrometry (FABMS) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/rpbkgfqgwrgasm-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C24H39N3O6/c1-10-25(11-2)19-16(22(28)31-7)20(26(12-3)13-4)18(24(30)33-9)21(27(14-5)15-6)17(19)23(29)32-8/h10-15H2,1-9H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3): δ [ppm] = 3.83 (s, 9H, OCH3), 2.90 (q, J = 7.1 Hz, 12H, CH2CH3), 0.98 (t, J = 7.1 Hz, 18H, CH2CH3).
DOI: 10.14272/rpbkgfqgwrgasm-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C24H39N3O6/c1-10-25(11-2)19-16(22(28)31-7)20(26(12-3)13-4)18(24(30)33-9)21(27(14-5)15-6)17(19)23(29)32-8/h10-15H2,1-9H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 480 (11), 478 (20), 467 (12), 466 (48), 465 (41) [M]+, 464 (100), 450 (16), 436 (11), 435 (10), 434 (34), 420 (11), 407 (13), 406 (53).
DOI: 10.14272/rpbkgfqgwrgasm-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C24H39N3O6/c1-10-25(11-2)19-16(22(28)31-7)20(26(12-3)13-4)18(24(30)33-9)21(27(14-5)15-6)17(19)23(29)32-8/h10-15H2,1-9H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–FAB (m/z): [M]+ calcd for C24H39O6N3: 465.2833; found 465.2835.HRMS–FAB (m/z): [M + H]+ calcd for C24H40O6N3: 466.2912 found 466.2912.
DOI: 10.14272/uoejoxkvdycqah-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C39H33N9O6/c1-4-52-37(49)31-34(46-22-28(40-43-46)25-16-10-7-11-17-25)32(38(50)53-5-2)36(48-24-30(42-45-48)27-20-14-9-15-21-27)33(39(51)54-6-3)35(31)47-23-29(41-44-47)26-18-12-8-13-19-26/h7-24H,4-6H2,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3139 (w), 3125 (vw), 3102 (vw), 3080 (w), 3033 (vw), 2982 (w), 2965 (vw), 2936 (vw), 1728 (vs), 1588 (m), 1560 (vw), 1492 (w), 1475 (m), 1462 (m), 1449 (w), 1391 (w), 1375 (w), 1333 (w), 1298 (w), 1283 (w), 1235 (vs), 1200 (m), 1177 (w), 1143 (w), 1096 (w), 1072 (w), 1014 (vs), 933 (w), 915 (w), 858 (w), 834 (w), 765 (vs), 707 (w), 693 (vs), 662 (w), 613 (w), 592 (w), 585 (w), 558 (vw), 537 (w), 507 (w), 465 (w), 448 (w), 422 (vw), 415 (vw), 398 (w), 387 (vw) cm–1.
DOI: 10.14272/uoejoxkvdycqah-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C39H33N9O6/c1-4-52-37(49)31-34(46-22-28(40-43-46)25-16-10-7-11-17-25)32(38(50)53-5-2)36(48-24-30(42-45-48)27-20-14-9-15-21-27)33(39(51)54-6-3)35(31)47-23-29(41-44-47)26-18-12-8-13-19-26/h7-24H,4-6H2,1-3H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–FAB (m/z): [M + H]+ calcd for C39H34O6N9: 724.2627; found 724.2625.