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Propanoic acid, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]-
SpectraBase Compound ID 1nmiJTQsTq3
InChI InChI=1S/C10H10N4O2S/c15-9(16)6-7-17-10-11-12-13-14(10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKey OQHPRPRMWXDVOV-UHFFFAOYSA-N
Mol Weight 250.28 g/mol
Molecular Formula C10H10N4O2S
Exact Mass 250.052447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3CFMxdHFse
Name Propanoic acid, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]-
Alternate Name(s) 3-((1-Phenyl-1H-tetrazol-5-yl)thio)propanoic acid 3-[(1-Phenyl-1H-tetrazol-5-yl)sulfanyl]propanoic acid 3-[(1-Phenyl-5-tetrazolyl)thio]propanoic acid 3-(1-Phenyltetrazol-5-yl)sulfanylpropanoic acid 3-[(1-Phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid
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Formula C10H10N4O2S
InChI InChI=1S/C10H10N4O2S/c15-9(16)6-7-17-10-11-12-13-14(10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKey OQHPRPRMWXDVOV-UHFFFAOYSA-N
Molecular Weight 250.276 g/mol
SMILES OC(=O)CCSc1nnn[n]1-c1ccccc1
SPLASH splash10-0udi-3890000000-aae7b98ead88a32be1b4
Source of Spectrum JX-2015-1-642
Wiley ID 1721437