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rel-(4aS,8S,8aR)-3,4,4a,5,6,7,8,8a-Octahydro-4a-methyl-8-(1-methylethyl)-5-oxonaphthalene-2-carboxylic Acid
SpectraBase Compound ID CL0uAFWH4NY
InChI InChI=1S/C15H22O3/c1-9(2)11-4-5-13(16)15(3)7-6-10(14(17)18)8-12(11)15/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)/t11-,12-,15-/m0/s1
InChIKey MIDNQBYFRKSCPM-HUBLWGQQSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYNmwihRxKB
Name rel-(4aS,8S,8aR)-3,4,4a,5,6,7,8,8a-Octahydro-4a-methyl-8-(1-methylethyl)-5-oxonaphthalene-2-carboxylic Acid
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Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-9(2)11-4-5-13(16)15(3)7-6-10(14(17)18)8-12(11)15/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)/t11-,12-,15-/m0/s1
InChIKey MIDNQBYFRKSCPM-HUBLWGQQSA-N
Molecular Weight 250.338 g/mol
SMILES OC(=O)C1=C[C@]2([C@@](CCC([C@]2(CC1)C)=O)(C(C)C)[H])[H]
SPLASH splash10-0ap0-0890000000-a82f39b79d26e14b091b
Source of Spectrum H-93-756-1
Synonyms Cosmosoic Acid (4aS,8S,8aR)-8-isopropyl-4a-methyl-5-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
Wiley ID 1783946