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3-Thiophenecarboxylic acid, 4,5-dihydro-4,4-dimethyl-5-thioxo-, ethyl ester
SpectraBase Compound ID 1b8AScdFKoa
InChI InChI=1S/C9H12O2S2/c1-4-11-7(10)6-5-13-8(12)9(6,2)3/h5H,4H2,1-3H3
InChIKey XZJFYOJYASPRLQ-UHFFFAOYSA-N
Mol Weight 216.31 g/mol
Molecular Formula C9H12O2S2
Exact Mass 216.027872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAzVFiybOQ4
Name 3-Thiophenecarboxylic acid, 4,5-dihydro-4,4-dimethyl-5-thioxo-, ethyl ester
CAS Registry Number 85072-94-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2S2
InChI InChI=1S/C9H12O2S2/c1-4-11-7(10)6-5-13-8(12)9(6,2)3/h5H,4H2,1-3H3
InChIKey XZJFYOJYASPRLQ-UHFFFAOYSA-N
Molecular Weight 216.313 g/mol
SMILES C=1(C(C(=S)SC1)(C)C)C(=O)OCC
SPLASH splash10-00kf-6930000000-cf3e4f1fca82e9ef45bd
Source of Spectrum H-69-425-4
Synonyms Ethyl 4,4-dimethyl-5-thioxo-4,5-dihydro-3-thiophenecarboxylate Ethyl 4,5-dihydro-4,4-dimethyl-5-thioxothiophene-3-carboxylate
Wiley ID 1215026