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1H-pyrazol-5-ol, 1-(4-methylphenyl)-3-[[(1-phenyl-1H-tetrazol-5-yl)thio]methyl]-
SpectraBase Compound ID 7dEkDoraQN4
InChI InChI=1S/C18H16N6OS/c1-13-7-9-16(10-8-13)23-17(25)11-14(20-23)12-26-18-19-21-22-24(18)15-5-3-2-4-6-15/h2-11,25H,12H2,1H3
InChIKey KGHDKBCSXMRQFJ-UHFFFAOYSA-N
Mol Weight 364.43 g/mol
Molecular Formula C18H16N6OS
Exact Mass 364.11063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GBae6vGaKGL
Name 1H-Pyrazol-5-ol, 1-(4-methylphenyl)-3-[[(1-phenyl-1H-tetrazol-5-yl)thio]methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.110630332 u
Formula C18H16N6OS
InChI InChI=1S/C18H16N6OS/c1-13-7-9-16(10-8-13)23-17(25)11-14(20-23)12-26-18-19-21-22-24(18)15-5-3-2-4-6-15/h2-11,25H,12H2,1H3
InChIKey KGHDKBCSXMRQFJ-UHFFFAOYSA-N
Molecular Weight 364.427 g/mol
SMILES OC1=CC(=NN1C=1C=CC(=CC1)C)CSC=1N(N=NN1)C=1C=CC=CC1