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2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide
SpectraBase Compound ID LyGdUnIZhf
InChI InChI=1S/C27H26Cl2N4OS/c1-17-5-12-21(13-6-17)33-25(18-7-9-19(10-8-18)27(2,3)4)31-32-26(33)35-16-24(34)30-20-11-14-22(28)23(29)15-20/h5-15H,16H2,1-4H3,(H,30,34)
InChIKey YIJUDEQIFOPFQU-UHFFFAOYSA-N
Mol Weight 525.5 g/mol
Molecular Formula C27H26Cl2N4OS
Exact Mass 524.120438 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FQOfbSKbgia
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)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/C27H26Cl2N4OS/c1-17-5-12-21(13-6-17)33-25(18-7-9-19(10-8-18)27(2,3)4)31-32-26(33)35-16-24(34)30-20-11-14-22(28)23(29)15-20/h5-15H,16H2,1-4H3,(H,30,34)
InChIKey YIJUDEQIFOPFQU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11731
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: E08671; Labnumber: GRES-37333; SBI_ID: SBI-011734
Temperature 308 °C