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2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
SpectraBase Compound ID 40OsZ5xsv
InChI InChI=1S/C26H25ClN4O3S/c1-17-4-7-20(14-18(17)2)28-25(32)16-35-26-30-29-24(15-34-23-10-5-19(27)6-11-23)31(26)21-8-12-22(33-3)13-9-21/h4-14H,15-16H2,1-3H3,(H,28,32)
InChIKey ANLFMHRHNSVOFY-UHFFFAOYSA-N
Mol Weight 509.02 g/mol
Molecular Formula C26H25ClN4O3S
Exact Mass 508.13359 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4YMcWGvY4Pt
Name 2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)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/C26H25ClN4O3S/c1-17-4-7-20(14-18(17)2)28-25(32)16-35-26-30-29-24(15-34-23-10-5-19(27)6-11-23)31(26)21-8-12-22(33-3)13-9-21/h4-14H,15-16H2,1-3H3,(H,28,32)
InChIKey ANLFMHRHNSVOFY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11444
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: E06341; Labnumber: GRES-20949; SBI_ID: SBI-011447
Temperature 308 °C