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N-[4-(aminosulfonyl)phenyl]-2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID ExU8XfnFiNu
InChI InChI=1S/C27H29N5O3S2/c1-18-5-13-22(14-6-18)32-25(19-7-9-20(10-8-19)27(2,3)4)30-31-26(32)36-17-24(33)29-21-11-15-23(16-12-21)37(28,34)35/h5-16H,17H2,1-4H3,(H,29,33)(H2,28,34,35)
InChIKey XGFOBOZVGINZNK-UHFFFAOYSA-N
Mol Weight 535.68 g/mol
Molecular Formula C27H29N5O3S2
Exact Mass 535.171182 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AWyXL23PHUy
Name N-[4-(aminosulfonyl)phenyl]-2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-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/C27H29N5O3S2/c1-18-5-13-22(14-6-18)32-25(19-7-9-20(10-8-19)27(2,3)4)30-31-26(32)36-17-24(33)29-21-11-15-23(16-12-21)37(28,34)35/h5-16H,17H2,1-4H3,(H,29,33)(H2,28,34,35)
InChIKey XGFOBOZVGINZNK-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4567
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: D99187; Labnumber: GRES-32783; SBI_ID: SBI-004569
Temperature 315 °C