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Propanoic acid, 3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
SpectraBase Compound ID 4PHe51faP3T
InChI InChI=1S/C5H8N4O2S/c1-9-5(6-7-8-9)12-3-2-4(10)11/h2-3H2,1H3,(H,10,11)
InChIKey DCMWNNYAWPGTDB-UHFFFAOYSA-N
Mol Weight 188.2 g/mol
Molecular Formula C5H8N4O2S
Exact Mass 188.036797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fgjt1oIMwK
Name Propanoic acid, 3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8N4O2S
InChI InChI=1S/C5H8N4O2S/c1-9-5(6-7-8-9)12-3-2-4(10)11/h2-3H2,1H3,(H,10,11)
InChIKey DCMWNNYAWPGTDB-UHFFFAOYSA-N
Molecular Weight 188.205 g/mol
SMILES OC(CCSc1[n](nnn1)C)=O
SPLASH splash10-052f-9400000000-3b1da2a5b6769b54ba2f
Source of Spectrum IY-1-4322-5
Synonyms 3-[(1-methyl-5-tetrazolyl)thio]propanoic acid 3-(1-Methyltetrazol-5-yl)sulfanylpropanoic acid 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid
Wiley ID 1651208