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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide

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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
SpectraBase Compound ID 6lDptPC0Ji2
InChI InChI=1S/C24H28N4OS/c1-6-14-28-22(18-10-12-19(13-11-18)24(3,4)5)26-27-23(28)30-16-21(29)25-20-9-7-8-17(2)15-20/h6-13,15H,1,14,16H2,2-5H3,(H,25,29)
InChIKey QBFXIRGXNVDEDH-UHFFFAOYSA-N
Mol Weight 420.58 g/mol
Molecular Formula C24H28N4OS
Exact Mass 420.198383 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H7ObiBWP8t1
Name 2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)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/C24H28N4OS/c1-6-14-28-22(18-10-12-19(13-11-18)24(3,4)5)26-27-23(28)30-16-21(29)25-20-9-7-8-17(2)15-20/h6-13,15H,1,14,16H2,2-5H3,(H,25,29)
InChIKey QBFXIRGXNVDEDH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14402
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: D98384; Labnumber: GRES-20172; SBI_ID: SBI-014405
Temperature 308 °C