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2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
SpectraBase Compound ID Fv61GhJoIHO
InChI InChI=1S/C28H29ClN4O3S/c1-28(2,3)19-8-6-18(7-9-19)26-31-32-27(33(26)21-11-13-22(35-4)14-12-21)37-17-25(34)30-20-10-15-24(36-5)23(29)16-20/h6-16H,17H2,1-5H3,(H,30,34)
InChIKey JKMLUGBXMDRYOM-UHFFFAOYSA-N
Mol Weight 537.08 g/mol
Molecular Formula C28H29ClN4O3S
Exact Mass 536.16489 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Crp8Uu41qRW
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)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/C28H29ClN4O3S/c1-28(2,3)19-8-6-18(7-9-19)26-31-32-27(33(26)21-11-13-22(35-4)14-12-21)37-17-25(34)30-20-10-15-24(36-5)23(29)16-20/h6-16H,17H2,1-5H3,(H,30,34)
InChIKey JKMLUGBXMDRYOM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17403
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: D25582; Labnumber: GRES-04665; SBI_ID: SBI-017406
Temperature 308 °C