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2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
SpectraBase Compound ID CSP5biKmEEe
InChI InChI=1S/C28H29ClN4OS/c1-18-9-15-22(16-10-18)33-26(20-11-13-21(14-12-20)28(3,4)5)31-32-27(33)35-17-25(34)30-24-8-6-7-23(29)19(24)2/h6-16H,17H2,1-5H3,(H,30,34)
InChIKey XQHIDUVBMPFGRG-UHFFFAOYSA-N
Mol Weight 505.08 g/mol
Molecular Formula C28H29ClN4OS
Exact Mass 504.17506 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GeV7dTTHPmg
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)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/C28H29ClN4OS/c1-18-9-15-22(16-10-18)33-26(20-11-13-21(14-12-20)28(3,4)5)31-32-27(33)35-17-25(34)30-24-8-6-7-23(29)19(24)2/h6-16H,17H2,1-5H3,(H,30,34)
InChIKey XQHIDUVBMPFGRG-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4542
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: D99141; Labnumber: GRES-32101; SBI_ID: SBI-004544
Temperature 315 °C