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2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-mesitylacetamide
SpectraBase Compound ID H9cnbqwaTBu
InChI InChI=1S/C30H34N4OS/c1-19-8-14-25(15-9-19)34-28(23-10-12-24(13-11-23)30(5,6)7)32-33-29(34)36-18-26(35)31-27-21(3)16-20(2)17-22(27)4/h8-17H,18H2,1-7H3,(H,31,35)
InChIKey AVRAQJQLISIDKN-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C30H34N4OS
Exact Mass 498.245333 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1ScEvZ2EU3R
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-mesitylacetamide
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/C30H34N4OS/c1-19-8-14-25(15-9-19)34-28(23-10-12-24(13-11-23)30(5,6)7)32-33-29(34)36-18-26(35)31-27-21(3)16-20(2)17-22(27)4/h8-17H,18H2,1-7H3,(H,31,35)
InChIKey AVRAQJQLISIDKN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14293
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: D98086; Labnumber: GRES-15536; SBI_ID: SBI-014296
Temperature 308 °C