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5-(2-nitrophenyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazole
SpectraBase Compound ID JmTQfxkmSuw
InChI InChI=1S/C15H8F3N5O4S/c16-15(17,18)8-5-6-12(11(7-8)23(26)27)28-14-19-13(20-21-14)9-3-1-2-4-10(9)22(24)25/h1-7H,(H,19,20,21)
InChIKey WQBPPKMCNIYSIG-UHFFFAOYSA-N
Mol Weight 411.32 g/mol
Molecular Formula C15H8F3N5O4S
Exact Mass 411.024909 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9brUuPhWKuY
Name 1H-1,2,4-triazole, 5-(2-nitrophenyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.024909417 u
Formula C15H8F3N5O4S
InChI InChI=1S/C15H8F3N5O4S/c16-15(17,18)8-5-6-12(11(7-8)23(26)27)28-14-19-13(20-21-14)9-3-1-2-4-10(9)22(24)25/h1-7H,(H,19,20,21)
InChIKey WQBPPKMCNIYSIG-UHFFFAOYSA-N
Molecular Weight 411.315 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13862
Solvent DMSO-d6
Source Vendor ID: NMR/9290286; Lab Info: LP; Lab Number: LP-2191208