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2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
SpectraBase Compound ID 1AGXnS4X6uN
InChI InChI=1S/C20H20ClN5OS/c1-2-12-26-18(13-22-15-8-4-3-5-9-15)24-25-20(26)28-14-19(27)23-17-11-7-6-10-16(17)21/h2-11,22H,1,12-14H2,(H,23,27)
InChIKey NIXSTHLHKXLXHM-UHFFFAOYSA-N
Mol Weight 413.93 g/mol
Molecular Formula C20H20ClN5OS
Exact Mass 413.107709 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GcY0cBh568K
Name 2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H20ClN5OS/c1-2-12-26-18(13-22-15-8-4-3-5-9-15)24-25-20(26)28-14-19(27)23-17-11-7-6-10-16(17)21/h2-11,22H,1,12-14H2,(H,23,27)
InChIKey NIXSTHLHKXLXHM-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7827
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9018055; UBI_ID: UBI-007830
Temperature 313 °C