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4H-1,2,4-triazol-3-ol, 5-[(phenylmethyl)thio]-
SpectraBase Compound ID DlKn4razfcD
InChI InChI=1S/C9H9N3OS/c13-8-10-9(12-11-8)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12,13)
InChIKey XOLVXBSCXULQJM-UHFFFAOYSA-N
Mol Weight 207.25 g/mol
Molecular Formula C9H9N3OS
Exact Mass 207.046633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVDkf0aKf6w
Name 4H-1,2,4-triazol-3-ol, 5-[(phenylmethyl)thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N3OS
InChI InChI=1S/C9H9N3OS/c13-8-10-9(12-11-8)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12,13)
InChIKey XOLVXBSCXULQJM-UHFFFAOYSA-N
Molecular Weight 207.251 g/mol
SMILES Oc1nnc(SCc2ccccc2)[nH]1
SPLASH splash10-0006-9000000000-7a2fa75c19c11caacc2f
Source of Spectrum JX-2015-5-874
Synonyms 5-(benzylthio)-4H-1,2,4-triazol-3-ol 5-(benzylsulfanyl)-4H-1,2,4-triazol-3-ol 5-(Phenylmethylthio)-1,2-dihydro-1,2,4-triazol-3-one 5-Benzylsulfanyl-1,2-dihydro-1,2,4-triazol-3-one 5-(Phenylmethylsulfanyl)-1,2-dihydro-1,2,4-triazol-3-one
Wiley ID 1727614