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cis-4-Benzoylthio-3-methyl-4,5-dihydro-2(3H)-furanone
SpectraBase Compound ID 8hO9SOcoa2R
InChI InChI=1S/C12H12O3S/c1-8-10(7-15-11(8)13)16-12(14)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10-/m1/s1
InChIKey HKRLIYGZHCTIQS-PSASIEDQSA-N
Mol Weight 236.28 g/mol
Molecular Formula C12H12O3S
Exact Mass 236.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYdIpNfrFzD
Name cis-4-Benzoylthio-3-methyl-4,5-dihydro-2(3H)-furanone
Alternate Name(s) benzenecarbothioic acid S-[(3S,4S)-4-methyl-5-oxo-3-oxolanyl]ester S-[(3S,4S)-4-methyl-5-oxidanylidene-oxolan-3-yl]benzenecarbothioate S-[(3S,4S)-4-methyl-5-oxo-tetrahydrofuran-3-yl]benzenecarbothioate S-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]benzenecarbothioate S-[(3S,4S)-4-methyl-5-oxotetrahydro-3-furanyl]benzenecarbothioate thiobenzoic acid S-[(3S,4S)-5-keto-4-methyl-tetrahydrofuran-3-yl]ester benzenecarbothioic acid S-[(3S,4S)-4-methyl-5-oxo-3-oxolanyl] ester S-[(3S,4S)-4-methyl-5-oxooxolan-3-yl] benzenecarbothioate S-[(3S,4S)-4-methyl-5-oxo-tetrahydrofuran-3-yl] benzenecarbothioate S-[(3S,4S)-4-methyl-5-oxidanylidene-oxolan-3-yl] benzenecarbothioate
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Formula C12H12O3S
InChI InChI=1S/C12H12O3S/c1-8-10(7-15-11(8)13)16-12(14)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10-/m1/s1
InChIKey HKRLIYGZHCTIQS-PSASIEDQSA-N
Molecular Weight 236.285 g/mol
SMILES [C@]1(C(OC[C@]1(SC(=O)c1ccccc1)[H])=O)(C)[H]
SPLASH splash10-0a4i-3900000000-7bc529ffc85a3fc867f0
Source of Spectrum K1-2004-1495-17
Wiley ID 1560593