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acetamide, 2-[[4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)-
SpectraBase Compound ID 7zXGdZGISOK
InChI InChI=1S/C27H22N4OS/c1-19-9-7-14-22(17-19)31-26(21-11-3-2-4-12-21)29-30-27(31)33-18-25(32)28-24-16-8-13-20-10-5-6-15-23(20)24/h2-17H,18H2,1H3,(H,28,32)
InChIKey QJOKSVXUIWXLNP-UHFFFAOYSA-N
Mol Weight 450.56 g/mol
Molecular Formula C27H22N4OS
Exact Mass 450.151433 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BAIBpOGSDl8
Name acetamide, 2-[[4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)-
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/C27H22N4OS/c1-19-9-7-14-22(17-19)31-26(21-11-3-2-4-12-21)29-30-27(31)33-18-25(32)28-24-16-8-13-20-10-5-6-15-23(20)24/h2-17H,18H2,1H3,(H,28,32)
InChIKey QJOKSVXUIWXLNP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_266
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: NMR/11252059; Labnumber: DEM-01041017