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3-Hydroxy-5-oxo-4-propanoyl-3-cyclohexene-1-thio carboxylic acid, S-ethyl ester
SpectraBase Compound ID Fl3AlUQSGHq
InChI InChI=1S/C12H16O4S/c1-3-8(13)11-9(14)5-7(6-10(11)15)12(16)17-4-2/h7,14H,3-6H2,1-2H3
InChIKey FMVXZALECYYGEN-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C12H16O4S
Exact Mass 256.07693 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID DoUk51MaWEd
Name 3-Cyclohexene-1-carbothioic acid, 3-hydroxy-5-oxo-4-(1-oxopropyl)-,S-ethyl ester
CAS Registry Number 120092-60-6
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Formula C12H16O4S
InChI InChI=1S/C12H16O4S/c1-3-8(13)11-9(14)5-7(6-10(11)15)12(16)17-4-2/h7,14H,3-6H2,1-2H3
InChIKey FMVXZALECYYGEN-UHFFFAOYSA-N
Instrument Name Bruker IFS 88 C
Purity slightly contaminated
Synonyms 3-Hydroxy-5-oxo-4-propanoyl-3-cyclohexene-1-thiocarboxylic acid, S-ethyl ester
Technique KBr-Pellet