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1-(hydroxymethyl)-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydroindene-4-carboxylic acid methyl ester
SpectraBase Compound ID mEBN4Z0uUC
InChI InChI=1S/C13H18O4/c1-7-10(6-14)8-4-3-5-9(13(16)17-2)11(8)12(7)15/h8-9,11,14H,3-6H2,1-2H3
InChIKey PRBDOAIFHXDNOT-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bQdzoJlho
Name 1-(hydroxymethyl)-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydroindene-4-carboxylic acid methyl ester
Alternate Name(s) 3-keto-2-methyl-1-methylol-3a,4,5,6,7,7a-hexahydroindene-4-carboxylic acid methyl ester Methyl 1-(hydroxymethyl)-2-methyl-3-oxidanylidene-3a,4,5,6,7,7a-hexahydroindene-4-carboxylate Methyl 1-(hydroxymethyl)-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydroindene-4-carboxylate Methyl 3-(hydroxymethyl)-2-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-1H-indene-7-carboxylate
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Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-7-10(6-14)8-4-3-5-9(13(16)17-2)11(8)12(7)15/h8-9,11,14H,3-6H2,1-2H3
InChIKey PRBDOAIFHXDNOT-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES OCC1=C(C(C2C1CCCC2C(=O)OC)=O)C
SPLASH splash10-05r4-7910000000-f41d2d817f5ca6053074
Source of Spectrum C-114-10458-19
Wiley ID 1240546