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N-(4-sec-butylphenyl)-2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID KfttXAng5wJ
InChI InChI=1S/C27H27ClN4O2S/c1-4-18(2)19-7-11-22(12-8-19)29-25(33)17-35-27-31-30-26(20-5-9-21(28)10-6-20)32(27)23-13-15-24(34-3)16-14-23/h5-16,18H,4,17H2,1-3H3,(H,29,33)
InChIKey KYKLTAOFXRBYER-UHFFFAOYSA-N
Mol Weight 507.05 g/mol
Molecular Formula C27H27ClN4O2S
Exact Mass 506.154325 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DalLXEV2xjy
Name N-(4-sec-butylphenyl)-2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C27H27ClN4O2S/c1-4-18(2)19-7-11-22(12-8-19)29-25(33)17-35-27-31-30-26(20-5-9-21(28)10-6-20)32(27)23-13-15-24(34-3)16-14-23/h5-16,18H,4,17H2,1-3H3,(H,29,33)
InChIKey KYKLTAOFXRBYER-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14595
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: D98748; Labnumber: GRES-25822; SBI_ID: SBI-014598
Temperature 318 °C