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2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
SpectraBase Compound ID 4A9Vk2FpGQP
InChI InChI=1S/C29H33N5OS/c1-20-7-15-25(16-8-20)34-27(21-9-11-22(12-10-21)29(2,3)4)31-32-28(34)36-19-26(35)30-23-13-17-24(18-14-23)33(5)6/h7-18H,19H2,1-6H3,(H,30,35)
InChIKey BUSINFQHJWSFFD-UHFFFAOYSA-N
Mol Weight 499.7 g/mol
Molecular Formula C29H33N5OS
Exact Mass 499.240582 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AMSz4w1zlG8
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]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/C29H33N5OS/c1-20-7-15-25(16-8-20)34-27(21-9-11-22(12-10-21)29(2,3)4)31-32-28(34)36-19-26(35)30-23-13-17-24(18-14-23)33(5)6/h7-18H,19H2,1-6H3,(H,30,35)
InChIKey BUSINFQHJWSFFD-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4859
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: E08254; Labnumber: GRES-36841; SBI_ID: SBI-004861
Temperature 315 °C