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5-(ethylthio)-5-(3'-oxocyclohexyl)furan-2(5H)-one
SpectraBase Compound ID KjMW34ZRhI9
InChI InChI=1S/C12H16O3S/c1-2-16-12(7-6-11(14)15-12)9-4-3-5-10(13)8-9/h6-7,9H,2-5,8H2,1H3
InChIKey XRIRYWBGMCUNTR-UHFFFAOYSA-N
Mol Weight 240.32 g/mol
Molecular Formula C12H16O3S
Exact Mass 240.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClSqNnBmDMF
Name 5-(ethylthio)-5-(3'-oxocyclohexyl)furan-2(5H)-one
CAS Registry Number 114583-59-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3S
InChI InChI=1S/C12H16O3S/c1-2-16-12(7-6-11(14)15-12)9-4-3-5-10(13)8-9/h6-7,9H,2-5,8H2,1H3
InChIKey XRIRYWBGMCUNTR-UHFFFAOYSA-N
Molecular Weight 240.317 g/mol
SMILES C1(OC(=O)C=C1)(C1CC(=O)CCC1)SCC
SPLASH splash10-00lr-0900000000-a29e6bc2cb6f28e4898c
Source of Spectrum J-53-3333-4
Synonyms 5-(ethylsulfanyl)-5-(3-oxocyclohexyl)-2(5H)-furanone
Wiley ID 1242633