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2-(Ethoxycarbonyl)-2-(methylthio)cyclohexanone.
SpectraBase Compound ID 3KtfGKGgQrc
InChI InChI=1S/C10H16O3S/c1-3-13-9(12)10(14-2)7-5-4-6-8(10)11/h3-7H2,1-2H3
InChIKey QXANMFXIMVPHPS-UHFFFAOYSA-N
Mol Weight 216.29 g/mol
Molecular Formula C10H16O3S
Exact Mass 216.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELjxhOVKmcd
Name 2-(Ethoxycarbonyl)-2-(methylthio)cyclohexanone.
Comments Less than 3 mono-isotopic peaks
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Formula C10H16O3S
InChI InChI=1S/C10H16O3S/c1-3-13-9(12)10(14-2)7-5-4-6-8(10)11/h3-7H2,1-2H3
InChIKey QXANMFXIMVPHPS-UHFFFAOYSA-N
Molecular Weight 216.295 g/mol
SMILES C1(C(=O)OCC)(C(=O)CCCC1)SC
SPLASH splash10-00di-0900000000-42076de487d5875c6355
Source of Spectrum F-67-2312-0
Wiley ID 1686014