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4-Methyl-3-([4-nitro-2-(trifluoromethyl)phenyl]sulfanyl)-5-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID 2dS99JIU3kA
InChI InChI=1S/C16H11F3N4O2S/c1-22-14(10-5-3-2-4-6-10)20-21-15(22)26-13-8-7-11(23(24)25)9-12(13)16(17,18)19/h2-9H,1H3
InChIKey NFXCSNZGUWSLTN-UHFFFAOYSA-N
Mol Weight 380.35 g/mol
Molecular Formula C16H11F3N4O2S
Exact Mass 380.055481 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ie8pNTL0VRr
Name 4H-1,2,4-triazole, 4-methyl-3-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-5-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.055481271 u
Formula C16H11F3N4O2S
InChI InChI=1S/C16H11F3N4O2S/c1-22-14(10-5-3-2-4-6-10)20-21-15(22)26-13-8-7-11(23(24)25)9-12(13)16(17,18)19/h2-9H,1H3
InChIKey NFXCSNZGUWSLTN-UHFFFAOYSA-N
Molecular Weight 380.345 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2570
Solvent DMSO-d6
Source Vendor ID: NMR/9215830; Lab Info: LP; Lab Number: LP-2190204