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2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-4,6-dimethylphenyl)acetamide
SpectraBase Compound ID 5rweua7vc3J
InChI InChI=1S/C29H31ClN4O2S/c1-18-15-19(2)26(24(30)16-18)31-25(35)17-37-28-33-32-27(20-7-9-21(10-8-20)29(3,4)5)34(28)22-11-13-23(36-6)14-12-22/h7-16H,17H2,1-6H3,(H,31,35)
InChIKey HRFWDCGXGGKZEF-UHFFFAOYSA-N
Mol Weight 535.11 g/mol
Molecular Formula C29H31ClN4O2S
Exact Mass 534.185625 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3iyN1Ta0ks2
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-4,6-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/C29H31ClN4O2S/c1-18-15-19(2)26(24(30)16-18)31-25(35)17-37-28-33-32-27(20-7-9-21(10-8-20)29(3,4)5)34(28)22-11-13-23(36-6)14-12-22/h7-16H,17H2,1-6H3,(H,31,35)
InChIKey HRFWDCGXGGKZEF-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19300
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: D13294; Labnumber: GRES-04681; SBI_ID: SBI-019303
Temperature 315 °C