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(3aS,4S,7aS)-1,5-diketo-7a-methyl-2,3,3a,4,6,7-hexahydroindene-4-carboxylic acid methyl ester
SpectraBase Compound ID EOa9Nec5aMU
InChI InChI=1S/C12H16O4/c1-12-6-5-8(13)10(11(15)16-2)7(12)3-4-9(12)14/h7,10H,3-6H2,1-2H3/t7-,10-,12-/m0/s1
InChIKey GUXSRJXCIKVXOU-JWYUURKGSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTyKxhYWJpS
Name (3aS,4S,7aS)-1,5-diketo-7a-methyl-2,3,3a,4,6,7-hexahydroindene-4-carboxylic acid methyl ester
Alternate Name(s) (3aS,4S,7aS)-7a-methyl-1,5-dioxo-2,3,3a,4,6,7-hexahydroindene-4-carboxylic acid methyl ester Methyl (3aS,4S,7aS)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroindene-4-carboxylate Methyl (3aS,4S,7aS)-7a-methyl-1,5-dioxo-2,3,3a,4,6,7-hexahydroindene-4-carboxylate
CAS Registry Number 26357-25-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-12-6-5-8(13)10(11(15)16-2)7(12)3-4-9(12)14/h7,10H,3-6H2,1-2H3/t7-,10-,12-/m0/s1
InChIKey GUXSRJXCIKVXOU-JWYUURKGSA-N
Molecular Weight 224.256 g/mol
SMILES [C@]12([C@@](C(=O)CC2)(CCC([C@]1(C(=O)OC)[H])=O)C)[H]
SPLASH splash10-0kxu-2900000000-c93d750a4fb384e8c001
Source of Spectrum B-35-807-0
Wiley ID 1224945