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3H-1,2,4-triazol-3-one, 2,4-dihydro-5-[[(4-nitrophenyl)thio]methyl]-
SpectraBase Compound ID GHQZ5owLWpe
InChI InChI=1S/C9H8N4O3S/c14-9-10-8(11-12-9)5-17-7-3-1-6(2-4-7)13(15)16/h1-4H,5H2,(H2,10,11,12,14)
InChIKey HOYGURFBUZNFIU-UHFFFAOYSA-N
Mol Weight 252.25 g/mol
Molecular Formula C9H8N4O3S
Exact Mass 252.031711 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H9mYXWDVVeE
Name 3H-1,2,4-triazol-3-one, 2,4-dihydro-5-[[(4-nitrophenyl)thio]methyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.031711305 u
Formula C9H8N4O3S
InChI InChI=1S/C9H8N4O3S/c14-9-10-8(11-12-9)5-17-7-3-1-6(2-4-7)13(15)16/h1-4H,5H2,(H2,10,11,12,14)
InChIKey HOYGURFBUZNFIU-UHFFFAOYSA-N
Molecular Weight 252.248 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9177
Solvent DMSO-d6
Source Vendor ID: NMR/9263603; Lab Info: LP; Lab Number: LP-2190888