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N-(2-tert-butylphenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 3TtPsuCmEb9
InChI InChI=1S/C27H27ClN4O2S/c1-27(2,3)22-10-5-6-11-23(22)29-24(33)17-35-26-31-30-25(18-8-7-9-21(16-18)34-4)32(26)20-14-12-19(28)13-15-20/h5-16H,17H2,1-4H3,(H,29,33)
InChIKey KXGNIFZHXGTAFQ-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 J4TjBpcuK6f
Name N-(2-tert-butylphenyl)-2-{[4-(4-chlorophenyl)-5-(3-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/c1-27(2,3)22-10-5-6-11-23(22)29-24(33)17-35-26-31-30-25(18-8-7-9-21(16-18)34-4)32(26)20-14-12-19(28)13-15-20/h5-16H,17H2,1-4H3,(H,29,33)
InChIKey KXGNIFZHXGTAFQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11353
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: E06665; Labnumber: GRES-27197; SBI_ID: SBI-011356
Temperature 318 °C