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3-(heptylthio)carbonyloxirane-2-carboxylic acid methyl ester
SpectraBase Compound ID KTIKoqHMpen
InChI InChI=1S/C12H20O4S/c1-3-4-5-6-7-8-17-12(14)10-9(16-10)11(13)15-2/h9-10H,3-8H2,1-2H3
InChIKey LAKJJWDCCDIWSZ-UHFFFAOYSA-N
Mol Weight 260.35 g/mol
Molecular Formula C12H20O4S
Exact Mass 260.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tl2lgVvORu
Name 3-(heptylthio)carbonyloxirane-2-carboxylic acid methyl ester
Alternate Name(s) 3-[(heptylthio)-oxomethyl]-2-oxiranecarboxylic acid methyl ester Methyl 3-heptylsulfanylcarbonyloxirane-2-carboxylate
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Formula C12H20O4S
InChI InChI=1S/C12H20O4S/c1-3-4-5-6-7-8-17-12(14)10-9(16-10)11(13)15-2/h9-10H,3-8H2,1-2H3
InChIKey LAKJJWDCCDIWSZ-UHFFFAOYSA-N
Molecular Weight 260.348 g/mol
SMILES C1(C(C(=O)OC)O1)C(=O)SCCCCCCC
SPLASH splash10-0kdi-0940000000-b0da2252ad3e203b78d4
Source of Spectrum AJ-42-828-11
Wiley ID 1567984