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3-[hydroxy(phenyl)methyl]-2-thenoic acid
SpectraBase Compound ID 18MlQoTzmFa
InChI InChI=1S/C12H10O3S/c13-10(8-4-2-1-3-5-8)9-6-7-16-11(9)12(14)15/h1-7,10,13H,(H,14,15)
InChIKey XGULTPCWJKWODT-UHFFFAOYSA-N
Mol Weight 234.27 g/mol
Molecular Formula C12H10O3S
Exact Mass 234.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9m2MwaROKw3
Name 3-[hydroxy(phenyl)methyl]-2-thenoic acid
CAS Registry Number 62521-45-3
Comments Less than 3 mono-isotopic peaks
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Formula C12H10O3S
InChI InChI=1S/C12H10O3S/c13-10(8-4-2-1-3-5-8)9-6-7-16-11(9)12(14)15/h1-7,10,13H,(H,14,15)
InChIKey XGULTPCWJKWODT-UHFFFAOYSA-N
Molecular Weight 234.269 g/mol
SMILES OC(c1c(C(c2ccccc2)O)ccs1)=O
SPLASH splash10-014i-0090000000-8c9377e32cbf38b796cb
Source of Spectrum K-122-1127-10
Synonyms 3-[hydroxy(phenyl)methyl]-2-thiophenecarboxylic acid 3-[hydroxy(phenyl)methyl]thiophene-2-carboxylic acid 3-[oxidanyl(phenyl)methyl]thiophene-2-carboxylic acid
Wiley ID 1235688