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2-Thiophenecarboxylic acid, tetrahydro-3-hydroxy-3-methyl-5-phenyl-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AHpCezIRDoY
Name 2-Thiophenecarboxylic acid, tetrahydro-3-hydroxy-3-methyl-5-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.066365482 u
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 C1=CC(=CC=C1)C1SC(C(=O)O)C(C1)(C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957948