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1H-1,2,4-Triazole-3-propanoic acid, 4,5-dihydro-5-thioxo-
SpectraBase Compound ID CG8hQDS1UtN
InChI InChI=1S/C5H7N3O2S/c9-4(10)2-1-3-6-5(11)8-7-3/h1-2H2,(H,9,10)(H2,6,7,8,11)
InChIKey AYGIKKUNSIUPMN-UHFFFAOYSA-N
Mol Weight 173.19 g/mol
Molecular Formula C5H7N3O2S
Exact Mass 173.025898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KLr6h28kS
Name 1H-1,2,4-Triazole-3-propanoic acid, 4,5-dihydro-5-thioxo-
Alternate Name(s) 3-(5-Thioxo-1,2-dihydro-1,2,4-triazol-3-yl)propanoic acid 3-(5-Sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanoic acid
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Formula C5H7N3O2S
InChI InChI=1S/C5H7N3O2S/c9-4(10)2-1-3-6-5(11)8-7-3/h1-2H2,(H,9,10)(H2,6,7,8,11)
InChIKey AYGIKKUNSIUPMN-UHFFFAOYSA-N
Molecular Weight 173.190 g/mol
SMILES OC(CCC1=NNC(N1)=S)=O
SPLASH splash10-05be-9300000000-200f98cf2ebe68b3bd1d
Source of Spectrum IY-2-4855-0
Wiley ID 1656773