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3-Cyclohexene-1-carbothioic acid, 3-(ethylthio)-5-oxo-4-(1-oxobutyl)-, S-ethyl ester
SpectraBase Compound ID Ix5DsFLV34q
InChI InChI=1S/C15H22O3S2/c1-4-7-11(16)14-12(17)8-10(15(18)20-6-3)9-13(14)19-5-2/h10H,4-9H2,1-3H3
InChIKey DFJHMFOQARZDEI-UHFFFAOYSA-N
Mol Weight 314.46 g/mol
Molecular Formula C15H22O3S2
Exact Mass 314.101037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63iXiapoQVH
Name 3-Cyclohexene-1-carbothioic acid, 3-(ethylthio)-5-oxo-4-(1-oxobutyl)-,
Alternate Name(s) S-ethyl 4-butyryl-3-(ethylsulfanyl)-5-oxo-3-cyclohexene-1-carbothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3S2
InChI InChI=1S/C15H22O3S2/c1-4-7-11(16)14-12(17)8-10(15(18)20-6-3)9-13(14)19-5-2/h10H,4-9H2,1-3H3
InChIKey DFJHMFOQARZDEI-UHFFFAOYSA-N
Molecular Weight 314.458 g/mol
SMILES C1(=C(CC(CC1=O)C(=O)SCC)SCC)C(=O)CCC
SPLASH splash10-016r-9210000000-4a4ed06bb7171d6d9999
Wiley ID 1472052