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2-({4-allyl-5-[(4-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chlorophenyl)acetamide
SpectraBase Compound ID DSdJcLerqCf
InChI InChI=1S/C20H19Cl2N5OS/c1-2-11-27-18(12-23-15-9-7-14(21)8-10-15)25-26-20(27)29-13-19(28)24-17-6-4-3-5-16(17)22/h2-10,23H,1,11-13H2,(H,24,28)
InChIKey FOJWDYCGLLYXFJ-UHFFFAOYSA-N
Mol Weight 448.37 g/mol
Molecular Formula C20H19Cl2N5OS
Exact Mass 447.068737 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JJDx8IJLu3y
Name 2-({4-allyl-5-[(4-chloroanilino)methyl]-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/C20H19Cl2N5OS/c1-2-11-27-18(12-23-15-9-7-14(21)8-10-15)25-26-20(27)29-13-19(28)24-17-6-4-3-5-16(17)22/h2-10,23H,1,11-13H2,(H,24,28)
InChIKey FOJWDYCGLLYXFJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3677
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/8102302; UBI_ID: UBI-003678
Temperature 308 °C