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(6-Ethylthio-3-oxo-2-oxabicyclo[3.3.1]non-7-yl)acetic acid, methyl ester

View entire compound with spectra: 1 MS (GC)

(6-Ethylthio-3-oxo-2-oxabicyclo[3.3.1]non-7-yl)acetic acid, methyl ester
SpectraBase Compound ID ZDFWTmgRhm
InChI InChI=1S/C13H20O4S/c1-3-18-13-8(6-11(14)16-2)4-10-5-9(13)7-12(15)17-10/h8-10,13H,3-7H2,1-2H3
InChIKey HWPAHVRFZSJCRN-UHFFFAOYSA-N
Mol Weight 272.36 g/mol
Molecular Formula C13H20O4S
Exact Mass 272.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93KmCcH35Mm
Name (6-Ethylthio-3-oxo-2-oxabicyclo[3.3.1]non-7-yl)acetic acid, methyl ester
Alternate Name(s) 2-[6-(ethylthio)-3-keto-2-oxabicyclo[3.3.1]nonan-7-yl]acetic acid methyl ester 2-[6-(ethylthio)-3-oxo-2-oxabicyclo[3.3.1]nonan-7-yl]acetic acid methyl ester Methyl 2-(6-ethylsulfanyl-3-oxidanylidene-2-oxabicyclo[3.3.1]nonan-7-yl)ethanoate Methyl 2-(6-ethylsulfanyl-3-oxo-2-oxabicyclo[3.3.1]nonan-7-yl)acetate
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Formula C13H20O4S
InChI InChI=1S/C13H20O4S/c1-3-18-13-8(6-11(14)16-2)4-10-5-9(13)7-12(15)17-10/h8-10,13H,3-7H2,1-2H3
InChIKey HWPAHVRFZSJCRN-UHFFFAOYSA-N
Molecular Weight 272.359 g/mol
SMILES C1(=O)CC2CC(O1)CC(C2SCC)CC(=O)OC
SPLASH splash10-0uml-8910000000-95e84d7fbd5304e8cab0
Wiley ID 1489653