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METHYL-(7AR,8S,11AS)-8,11A-DIMETHYL-2-OXO-1,2,6,7,7A,8,9,10,11,11A-DECAHYDRONAPHTH-[1,2-D]-OXEPIN-8-CARBOXYLATE
SpectraBase Compound ID 9BsDIEpWEmL
InChI InChI=1S/C18H24O4/c1-17-8-4-9-18(2,16(20)21-3)14(17)6-5-12-7-10-22-15(19)11-13(12)17/h7,10,14H,4-6,8-9,11H2,1-3H3/t14?,17-,18+/m1/s1
InChIKey ILLHUCQEOVENRZ-QIWLAUOQSA-N
Mol Weight 304.39 g/mol
Molecular Formula C18H24O4
Exact Mass 304.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JW9K2Bvk2d
Name Methyl 8,11a-dimethyl-8-oxo-decahydronaphth[1,2-d]oxepine-8-carboxylate
Alternate Name(s) (4S,11bS)-4,11b-Dimethyl-10-oxo-1,2,3,4,4a,5,6,10,11,11b-decahydro-9-oxa-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester Methyl (8R,11aS)-8,11a-dimethyl-2-oxo-1,2,6,7,7a,8,9,10,11,11a-decahydronaphtho[1,2-d]oxepin-8-carboxylate
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Formula C18H24O4
InChI InChI=1S/C18H24O4/c1-17-8-4-9-18(2,16(20)21-3)14(17)6-5-12-7-10-22-15(19)11-13(12)17/h7,10,14H,4-6,8-9,11H2,1-3H3/t14?,17-,18+/m1/s1
InChIKey ILLHUCQEOVENRZ-QIWLAUOQSA-N
Molecular Weight 304.386 g/mol
SMILES [C@]12(C3=C(C=COC(C3)=O)CCC1[C@](C(=O)OC)(C)CCC2)C
SPLASH splash10-0ik9-0391000000-2dfb1d776961f40cd0db
Source of Spectrum B-51-43-26
Wiley ID 746004