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2-{[4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
SpectraBase Compound ID I7k9WOeEb5m
InChI InChI=1S/C19H16Cl2N4OS/c1-2-11-25-18(15-5-3-4-6-16(15)21)23-24-19(25)27-12-17(26)22-14-9-7-13(20)8-10-14/h2-10H,1,11-12H2,(H,22,26)
InChIKey ZYDDTAAOADEPFE-UHFFFAOYSA-N
Mol Weight 419.33 g/mol
Molecular Formula C19H16Cl2N4OS
Exact Mass 418.042188 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2XisE1AecFA
Name 2-{[4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-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/C19H16Cl2N4OS/c1-2-11-25-18(15-5-3-4-6-16(15)21)23-24-19(25)27-12-17(26)22-14-9-7-13(20)8-10-14/h2-10H,1,11-12H2,(H,22,26)
InChIKey ZYDDTAAOADEPFE-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4531
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: D99123; Labnumber: GRES-31879; SBI_ID: SBI-004533
Temperature 315 °C