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RAC-2-(METHYLTHIO)-ETHYL-3-OXOBICYCLO-[4.3.0]-1-NONENE-6-CARBOXYLATE
SpectraBase Compound ID 2APXkSxTaxh
InChI InChI=1S/C13H18O3S/c1-17-8-7-16-12(15)13-5-2-3-10(13)9-11(14)4-6-13/h9H,2-8H2,1H3
InChIKey VNBCMTLPKRYBEF-UHFFFAOYSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FBm01iP4G4
Name 2'-(Methylthio)ethyl 2-oxobicyclo[4.3.0]-non-1-ene-6-carboxylate
Alternate Name(s) 6-Oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylic acid 2-(methylthio)ethyl ester 2-Methylsulfanylethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate 2-Methylsulfanylethyl 6-oxidanylidene-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate
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Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-17-8-7-16-12(15)13-5-2-3-10(13)9-11(14)4-6-13/h9H,2-8H2,1H3
InChIKey VNBCMTLPKRYBEF-UHFFFAOYSA-N
Molecular Weight 254.344 g/mol
SMILES C12(C(=CC(CC2)=O)CCC1)C(=O)OCCSC
SPLASH splash10-004i-9120000000-f49e1ba5db0c20c05b2e
Source of Spectrum H-2005-5344-0
Wiley ID 1588136