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2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide
SpectraBase Compound ID 1rfFkQ1KFc1
InChI InChI=1S/C25H24ClN5O2S/c1-2-33-22-13-11-19(12-14-22)28-24(32)17-34-25-30-29-23(31(25)21-9-4-3-5-10-21)16-27-20-8-6-7-18(26)15-20/h3-15,27H,2,16-17H2,1H3,(H,28,32)
InChIKey NVDRVLNQQKWUNU-UHFFFAOYSA-N
Mol Weight 494.01 g/mol
Molecular Formula C25H24ClN5O2S
Exact Mass 493.133924 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8kBmtHc30WN
Name 2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethoxyphenyl)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/C25H24ClN5O2S/c1-2-33-22-13-11-19(12-14-22)28-24(32)17-34-25-30-29-23(31(25)21-9-4-3-5-10-21)16-27-20-8-6-7-18(26)15-20/h3-15,27H,2,16-17H2,1H3,(H,28,32)
InChIKey NVDRVLNQQKWUNU-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3351
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/8091675; UBI_ID: UBI-003352
Temperature 308 °C