cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/hbyvpgcflsyjnb-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C28H9F10NO2/c29-17-15(18(30)22(34)25(37)21(17)33)27(40)39(28(41)16-19(31)23(35)26(38)24(36)20(16)32)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/yuwyobxukkdkqp-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C21H10F5NO/c22-16-15(17(23)19(25)20(26)18(16)24)21(28)27-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,27,28)

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ngywxnyzkoihbq-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm] ppm) δ = 8.90 (bs, 1H), 8.38 (dd, J = 8.3, 1.1 Hz, 1H), 7.57 (dd, J = 7.8, 1.6 Hz, 1H), 7.57–7.49 (m, 2H), 7.46–7.37 (m, 4H), 7.22 (td, J = 7.7, 1.2 Hz, 1H).
DOI: 10.14272/ngywxnyzkoihbq-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm] ppm) δ = 154.6 (q, J = 37.4 Hz), 136.3, 131.8 (+, CH), 131.6 (+, CH, 2C), 130.0 (+, CH), 129.5 (+, CH), 128.9 (+, CH, 2C), 125.7 (+, CH), 121.9, 119.8 (+, CH), 115.91 (q, J = 289.0 Hz), 113.6, 98.2, 83.0.
DOI: 10.14272/ngywxnyzkoihbq-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, CDCl3) δ = -75.83.
DOI: 10.14272/ngywxnyzkoihbq-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ngywxnyzkoihbq-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 20 °C), m/z (%): 290 (17) [M+1]+, 289 (100) [M]+, 221 (3), 220 (21), 219 (2), 193 (3), 192 (19), 191 (10), 190 (8), 166 (6), 165 (34), 164 (4), 163 (2), 139 (2), 111 (2), 97 (3), 89 (3), 85 (2), 83 (3), 77 (2), 71 (4), 70 (2), 69 (3), 59 (2), 58 (19), 57 (5), 56 (2), 55 (2). HRMS (C16H10F3NO): calcd 289.0709, found 289.0707.
DOI: 10.14272/ngywxnyzkoihbq-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3343 (w), 3193 (vw), 3077 (vw), 3057 (w), 3033 (vw), 3017 (vw), 2958 (vw), 2922 (vw), 1708 (vs), 1679 (w), 1611 (w), 1582 (m), 1544 (s), 1514 (w), 1493 (m), 1473 (w), 1452 (m), 1282 (s), 1232 (m), 1181 (vs), 1171 (vs), 1154 (vs), 1095 (s), 1071 (m), 1041 (w), 1027 (w), 999 (w), 986 (w), 966 (w), 950 (w), 914 (w), 904 (s), 867 (w), 843 (w), 766 (vs), 752 (vs), 738 (s), 725 (m), 687 (vs), 618 (vs), 609 (vs), 562 (m), 552 (m), 524 (s), 493 (m), 475 (vs), 431 (w), 407 (w), 388 (w) cm–1.
DOI: 10.14272/ngywxnyzkoihbq-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ngywxnyzkoihbq-uhfffaoysa-n.1
title: 2,2,2-tris(fluoranyl)-N-[2-(2-phenylethynyl)phenyl]ethanamide
title: InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)

description: This dataset contains experimental data from a sample (2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide, InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 19F nuclear magnetic resonance spectroscopy (19F NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/ngywxnyzkoihbq-uhfffaoysa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) (2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3343 (w), 3193 (vw), 3077 (vw), 3057 (w), 3033 (vw), 3017 (vw), 2958 (vw), 2922 (vw), 1708 (vs), 1679 (w), 1611 (w), 1582 (m), 1544 (s), 1514 (w), 1493 (m), 1473 (w), 1452 (m), 1282 (s), 1232 (m), 1181 (vs), 1171 (vs), 1154 (vs), 1095 (s), 1071 (m), 1041 (w), 1027 (w), 999 (w), 986 (w), 966 (w), 950 (w), 914 (w), 904 (s), 867 (w), 843 (w), 766 (vs), 752 (vs), 738 (s), 725 (m), 687 (vs), 618 (vs), 609 (vs), 562 (m), 552 (m), 524 (s), 493 (m), 475 (vs), 431 (w), 407 (w), 388 (w) cm–1.
DOI: 10.14272/ngywxnyzkoihbq-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) (2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 20 °C), m/z (%): 290 (17) [M+1]+, 289 (100) [M]+, 221 (3), 220 (21), 219 (2), 193 (3), 192 (19), 191 (10), 190 (8), 166 (6), 165 (34), 164 (4), 163 (2), 139 (2), 111 (2), 97 (3), 89 (3), 85 (2), 83 (3), 77 (2), 71 (4), 70 (2), 69 (3), 59 (2), 58 (19), 57 (5), 56 (2), 55 (2). HRMS (C16H10F3NO): calcd 289.0709, found 289.0707.
DOI: 10.14272/ngywxnyzkoihbq-uhfffaoysa-n/chmo0000597.1
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, CDCl3) δ = -75.83.
DOI: 10.14272/ngywxnyzkoihbq-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm] ppm) δ = 154.6 (q, J = 37.4 Hz), 136.3, 131.8 (+, CH), 131.6 (+, CH, 2C), 130.0 (+, CH), 129.5 (+, CH), 128.9 (+, CH, 2C), 125.7 (+, CH), 121.9, 119.8 (+, CH), 115.91 (q, J = 289.0 Hz), 113.6, 98.2, 83.0.
DOI: 10.14272/ngywxnyzkoihbq-uhfffaoysa-n/chmo0000596.2
title: distortionless enhancement with polarization transfer (DEPT) (2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ngywxnyzkoihbq-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm], ppm) δ = 8.90 (bs, 1H), 8.38 (dd, J = 8.4, 1.1 Hz, 1H), 7.61–7.48 (m, 3H), 7.47–7.35 (m, 4H), 7.22 (td, J = 7.6, 1.2 Hz, 1H).
DOI: 10.14272/ngywxnyzkoihbq-uhfffaoysa-n.2
title: 2,2,2-tris(fluoranyl)-N-[2-(2-phenylethynyl)phenyl]ethanamide
title: InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)

description: This dataset contains experimental data from a sample (2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide, InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 19F nuclear magnetic resonance spectroscopy (19F NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/ngywxnyzkoihbq-uhfffaoysa-n/chmo0000596.3
title: distortionless enhancement with polarization transfer (DEPT) (2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/vvaqnejugpehsi-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (N-benzyl-2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C23H16F3NO/c24-23(25,26)22(28)27(17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)16-15-18-9-3-1-4-10-18/h1-14H,17H2

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA), m/z (%): 380 (23) [M+1]+, 379 (16) [M]+, 378 (31), 302 (32), 282 (8), 280 (12), 204 (9), 109 (10), 105 (10), 97 (11), 95 (17), 93 (8), 92 (8), 91 (100). HRMS (C23H16F3NO): calcd 379.1179, found 379.1177.
DOI: 10.14272/vvaqnejugpehsi-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) (N-benzyl-2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C23H16F3NO/c24-23(25,26)22(28)27(17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)16-15-18-9-3-1-4-10-18/h1-14H,17H2

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (absorption, DMSO), λmax = 299 nm.
DOI: 10.14272/vvaqnejugpehsi-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (N-benzyl-2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C23H16F3NO/c24-23(25,26)22(28)27(17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)16-15-18-9-3-1-4-10-18/h1-14H,17H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/vvaqnejugpehsi-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (N-benzyl-2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C23H16F3NO/c24-23(25,26)22(28)27(17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)16-15-18-9-3-1-4-10-18/h1-14H,17H2

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, ppm) δ = -68.30.
DOI: 10.14272/vvaqnejugpehsi-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (N-benzyl-2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C23H16F3NO/c24-23(25,26)22(28)27(17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)16-15-18-9-3-1-4-10-18/h1-14H,17H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm] ppm) δ = 157.5 (q, J = 36.0 Hz),139.8, 135.3, 132.9 (+, CH), 131.9 (+, CH, 2C), 130.2 (+, CH), 129.7 (+, CH, 2C), 129.3 (+, CH), 129.2 (+, CH), 128.7 (+, CH, 2C), 128.65 (+, CH, 2C), 128.6 (+, CH), 128.3 (+, CH), 123.5, 122.5, 116.5 (q, J = 288.7 Hz), 95.8, 84.7, 54.2 (–, CH2).
DOI: 10.14272/vvaqnejugpehsi-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (N-benzyl-2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C23H16F3NO/c24-23(25,26)22(28)27(17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)16-15-18-9-3-1-4-10-18/h1-14H,17H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm] ppm) δ = 7.62 (dd, J = 7.7, 1.5 Hz, 1H), 7.51 (ddd, J = 5.3, 4.2, 2.5 Hz, 2H), 7.43–7.32 (m, 4H), 7.26 (td, J = 4.4, 1.8 Hz, 3H), 7.23–7.12 (m, 3H), 6.80 (d, J = 8.0 Hz, 1H), 5.69 (d, J = 14.1 Hz, 1H), 4.35 (d, J = 14.1 Hz, 1H). Impurities: spectrum contains acetone signal at 2.05 ppm, water signal at 1.56 ppm, and silicon grease signals at 1.26, 0.89 and 0.08 ppm.
DOI: 10.14272/vvaqnejugpehsi-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (N-benzyl-2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide)
title: InChI=1S/C23H16F3NO/c24-23(25,26)22(28)27(17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)16-15-18-9-3-1-4-10-18/h1-14H,17H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/vvaqnejugpehsi-uhfffaoysa-n.1
title: 2,2,2-tris(fluoranyl)-N-[2-(2-phenylethynyl)phenyl]-N-(phenylmethyl)ethanamide
title: InChI=1S/C23H16F3NO/c24-23(25,26)22(28)27(17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)16-15-18-9-3-1-4-10-18/h1-14H,17H2

description: This dataset contains experimental data from a sample (N-benzyl-2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide, InChI=1S/C23H16F3NO/c24-23(25,26)22(28)27(17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)16-15-18-9-3-1-4-10-18/h1-14H,17H2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 19F nuclear magnetic resonance spectroscopy (19F NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) mass spectrometry (MS) ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/fxroqscgtouneh-uhfffaoysa-n.2
title: N,N-dibenzyl-2-iodoaniline
title: InChI=1S/C20H18IN/c21-19-13-7-8-14-20(19)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2

description: This dataset contains experimental data from a sample (N,N-dibenzyl-2-iodoaniline, InChI=1S/C20H18IN/c21-19-13-7-8-14-20(19)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/fxroqscgtouneh-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (N,N-dibenzyl-2-iodoaniline)
title: InChI=1S/C20H18IN/c21-19-13-7-8-14-20(19)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm] ppm) δ = 151.8, 140.3 (+, CH), 137.9 (2C), 129.1 (+, CH, 4C), 128.6 (+, CH), 128.3 (+, CH, 4C), 127.2 (+, CH, 2C), 125.9 (+, CH), 124.7 (+, CH), 99.9, 57.2 (–, CH2, 2C).
DOI: 10.14272/fxroqscgtouneh-uhfffaoysa-n/chmo0000596.2
title: distortionless enhancement with polarization transfer (DEPT) (N,N-dibenzyl-2-iodoaniline)
title: InChI=1S/C20H18IN/c21-19-13-7-8-14-20(19)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/fxroqscgtouneh-uhfffaoysa-n/chmo0000596.3
title: distortionless enhancement with polarization transfer (DEPT) (N,N-dibenzyl-2-iodoaniline)
title: InChI=1S/C20H18IN/c21-19-13-7-8-14-20(19)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/fxroqscgtouneh-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) (N,N-dibenzyl-2-iodoaniline)
title: InChI=1S/C20H18IN/c21-19-13-7-8-14-20(19)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 70 °C), m/z (%): 400 (17) [M+1]+, 399 (70) [M]+, 313 (30), 309 (80), 308 (26), 182 (15), 181 (34), 180 (96), 91 (100), 75 (17). HRMS (C20H18IN): calcd 399.0479, found 399.0481.
DOI: 10.15156/bio/sh1453418.08fu
title: SH1453418.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1453419.08fu
title: SH1453419.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1601999.08fu
title: SH1601999.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1602000.08fu
title: SH1602000.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1453420.08fu
title: SH1453420.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1453421.08fu
title: SH1453421.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.