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4H-1,2,4-triazole, 4-methyl-3-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-5-(phenylmethyl)-
SpectraBase Compound ID ET88yp7noDs
InChI InChI=1S/C17H13F3N4O2S/c1-23-15(9-11-5-3-2-4-6-11)21-22-16(23)27-14-8-7-12(24(25)26)10-13(14)17(18,19)20/h2-8,10H,9H2,1H3
InChIKey NOSQHDWHCHJZNX-UHFFFAOYSA-N
Mol Weight 394.37 g/mol
Molecular Formula C17H13F3N4O2S
Exact Mass 394.071131 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CnG0KDd6JUP
Name 4H-1,2,4-triazole, 4-methyl-3-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-5-(phenylmethyl)-
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/C17H13F3N4O2S/c1-23-15(9-11-5-3-2-4-6-11)21-22-16(23)27-14-8-7-12(24(25)26)10-13(14)17(18,19)20/h2-8,10H,9H2,1H3
InChIKey NOSQHDWHCHJZNX-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_CB_8313_5868
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/9312715; Labnumber: LP-2191553