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2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-naphthyl)acetamide
SpectraBase Compound ID JidkpIjwgyK
InChI InChI=1S/C31H30N4OS/c1-21-12-18-25(19-13-21)35-29(23-14-16-24(17-15-23)31(2,3)4)33-34-30(35)37-20-28(36)32-27-11-7-9-22-8-5-6-10-26(22)27/h5-19H,20H2,1-4H3,(H,32,36)
InChIKey YDIIERDRVAQOIL-UHFFFAOYSA-N
Mol Weight 506.67 g/mol
Molecular Formula C31H30N4OS
Exact Mass 506.214033 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID APc3b5PeTVN
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-naphthyl)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/C31H30N4OS/c1-21-12-18-25(19-13-21)35-29(23-14-16-24(17-15-23)31(2,3)4)33-34-30(35)37-20-28(36)32-27-11-7-9-22-8-5-6-10-26(22)27/h5-19H,20H2,1-4H3,(H,32,36)
InChIKey YDIIERDRVAQOIL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14589
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: D98739; Labnumber: GRES-25709; SBI_ID: SBI-014592
Temperature 318 °C