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2-(3-Thienyl)propanoic acid
SpectraBase Compound ID 6I1hmgyfrLG
InChI InChI=1S/C7H8O2S/c1-5(7(8)9)6-2-3-10-4-6/h2-5H,1H3,(H,8,9)
InChIKey MDHJHWOTXDVWRS-UHFFFAOYSA-N
Mol Weight 156.2 g/mol
Molecular Formula C7H8O2S
Exact Mass 156.024501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1abvG2iKN2
Name 2-(3-Thienyl)propanoic acid
CAS Registry Number 78239-46-0
Comments Less than 3 mono-isotopic peaks
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Formula C7H8O2S
InChI InChI=1S/C7H8O2S/c1-5(7(8)9)6-2-3-10-4-6/h2-5H,1H3,(H,8,9)
InChIKey MDHJHWOTXDVWRS-UHFFFAOYSA-N
Molecular Weight 156.199 g/mol
SMILES OC(C(c1cscc1)C)=O
SPLASH splash10-03di-0900000000-a32ce53a8c79d9232c72
Source of Spectrum KC-1990-2913-12
Synonyms 2-(3-thienyl)propionic acid 2-(3-thiophenyl)propanoic acid 2-thiophen-3-ylpropanoic acid
Wiley ID 1153187