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3-[(3aS,4S,7aS)-1,5-diketo-7a-methyl-2,3,3a,4,6,7-hexahydroinden-4-yl]propionic acid methyl ester
SpectraBase Compound ID 2G84Y3ZkZJw
InChI InChI=1S/C14H20O4/c1-14-8-7-11(15)9(3-6-13(17)18-2)10(14)4-5-12(14)16/h9-10H,3-8H2,1-2H3/t9-,10-,14-/m0/s1
InChIKey DWBXHJUNLMFRNZ-BHDSKKPTSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnAOUsJBKAY
Name 3-[(3aS,4S,7aS)-1,5-diketo-7a-methyl-2,3,3a,4,6,7-hexahydroinden-4-yl]propionic acid methyl ester
Alternate Name(s) 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-2,3,3a,4,6,7-hexahydroinden-4-yl]propanoic acid methyl ester Methyl 3-[(3aS,4S,7aS)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanoate Methyl 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-2,3,3a,4,6,7-hexahydroinden-4-yl]propanoate
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Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-14-8-7-11(15)9(3-6-13(17)18-2)10(14)4-5-12(14)16/h9-10H,3-8H2,1-2H3/t9-,10-,14-/m0/s1
InChIKey DWBXHJUNLMFRNZ-BHDSKKPTSA-N
Molecular Weight 252.310 g/mol
SMILES [C@@]12([C@]([C@](CCC(=O)OC)(C(CC2)=O)[H])(CCC1=O)[H])C
SPLASH splash10-0773-9220000000-62c909ccbf33044ac366
Source of Spectrum E1-40-1122-18
Wiley ID 1599178