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2-Thiophenecarboxylic acid, tetrahydro-3-hydroxy-3-methyl-5-phenyl-
SpectraBase Compound ID EKxrfJaAWh8
InChI InChI=1S/C12H14O3S/c1-12(15)7-9(16-10(12)11(13)14)8-5-3-2-4-6-8/h2-6,9-10,15H,7H2,1H3,(H,13,14)
InChIKey YMQZLPSBXBXWNW-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GhjFAwpwLSJ
Name 2,5-Anhydro-4-deoxy-3-c-methyl-5-phenyl-2-thiopentonic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-12(15)7-9(16-10(12)11(13)14)8-5-3-2-4-6-8/h2-6,9-10,15H,7H2,1H3,(H,13,14)
InChIKey YMQZLPSBXBXWNW-UHFFFAOYSA-N
Molecular Weight 238.301 g/mol
SMILES OC1(C(C(=O)O)SC(C1)c1ccccc1)C
SPLASH splash10-0006-9610000000-aec08213a50f09532a17
Synonyms 2-Thiophenecarboxylic acid, tetrahydro-3-hydroxy-3-methyl-5-phenyl- 3-Hydroxy-3-methyl-5-phenyl-2-thiolanecarboxylic acid 3-Hydroxy-3-methyl-5-phenyl-tetrahydrothiophene-2-carboxylic acid 3-Hydroxy-3-methyl-5-phenylthiolane-2-carboxylic acid 3-Methyl-3-oxidanyl-5-phenyl-thiolane-2-carboxylic acid
Wiley ID 1449629