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

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2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)acetamide
SpectraBase Compound ID 4igQR6GoRmZ
InChI InChI=1S/C27H28N4OS/c1-18(2)23-7-5-6-8-24(23)28-25(32)17-33-27-30-29-26(21-13-9-19(3)10-14-21)31(27)22-15-11-20(4)12-16-22/h5-16,18H,17H2,1-4H3,(H,28,32)
InChIKey QUPBFJMFBWTQTQ-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 JTNh6mYE4il
Name 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-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)23-7-5-6-8-24(23)28-25(32)17-33-27-30-29-26(21-13-9-19(3)10-14-21)31(27)22-15-11-20(4)12-16-22/h5-16,18H,17H2,1-4H3,(H,28,32)
InChIKey QUPBFJMFBWTQTQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14497
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: D98606; Labnumber: GRES-23539; SBI_ID: SBI-014500
Temperature 308 °C