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2-(Phenoxymethyl)-5-mercapto-1,2,4-triazole
SpectraBase Compound ID 7XxjEu46sqI
InChI InChI=1S/C9H9N3OS/c14-9-10-6-12(11-9)7-13-8-4-2-1-3-5-8/h1-6H,7H2,(H,11,14)
InChIKey INYHKZCFSVBTST-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 DdIW7RHerPb
Name 2-(Phenoxymethyl)-5-mercapto-1,2,4-triazole
Alternate Name(s) 1-(Phenoxymethyl)-1H-1,2,4-triazol-3-yl hydrosulfide 1-(Phenoxymethyl)-1H-1,2,4-triazole-3-thiol
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Formula C9H9N3OS
InChI InChI=1S/C9H9N3OS/c14-9-10-6-12(11-9)7-13-8-4-2-1-3-5-8/h1-6H,7H2,(H,11,14)
InChIKey INYHKZCFSVBTST-UHFFFAOYSA-N
Molecular Weight 207.251 g/mol
SMILES Sc1nc[n](COc2ccccc2)n1
SPLASH splash10-0006-9210000000-ad9681e15cb5478ab91e
Source of Spectrum Y-38-931-6
Wiley ID 848599