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

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2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide
SpectraBase Compound ID 8gbCOBjkza4
InChI InChI=1S/C27H28N4OS/c1-18(2)21-11-13-23(14-12-21)28-25(32)17-33-27-30-29-26(22-9-5-19(3)6-10-22)31(27)24-15-7-20(4)8-16-24/h5-16,18H,17H2,1-4H3,(H,28,32)
InChIKey UHEOKZZVKUOMII-UHFFFAOYSA-N
Mol Weight 456.61 g/mol
Molecular Formula C27H28N4OS
Exact Mass 456.198383 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7BuWUTW4WnX
Name 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)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/C27H28N4OS/c1-18(2)21-11-13-23(14-12-21)28-25(32)17-33-27-30-29-26(22-9-5-19(3)6-10-22)31(27)24-15-7-20(4)8-16-24/h5-16,18H,17H2,1-4H3,(H,28,32)
InChIKey UHEOKZZVKUOMII-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4845
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: E08236; Labnumber: GRES-36819; SBI_ID: SBI-004847
Temperature 315 °C