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2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SpectraBase Compound ID 82PWshs4gyC
InChI InChI=1S/C23H27ClN4O2S/c1-14-11-18(19(30-6)12-17(14)24)25-20(29)13-31-22-27-26-21(28(22)5)15-7-9-16(10-8-15)23(2,3)4/h7-12H,13H2,1-6H3,(H,25,29)
InChIKey QVHBZQZFFQYVSZ-UHFFFAOYSA-N
Mol Weight 459.01 g/mol
Molecular Formula C23H27ClN4O2S
Exact Mass 458.154325 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Luvv1OqHFph
Name 2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-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/C23H27ClN4O2S/c1-14-11-18(19(30-6)12-17(14)24)25-20(29)13-31-22-27-26-21(28(22)5)15-7-9-16(10-8-15)23(2,3)4/h7-12H,13H2,1-6H3,(H,25,29)
InChIKey QVHBZQZFFQYVSZ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4549
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: D99152; Labnumber: GRES-32276; SBI_ID: SBI-004551
Temperature 315 °C