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(5aS,8R,8aS)-5,5,8a-Trimethyl-8-phenyl-hexahydro-cyclopenta[b]oxepine-2,6-dione
SpectraBase Compound ID GrihpqSrXF6
InChI InChI=1S/C18H22O3/c1-17(2)10-9-15(20)21-18(3)13(11-14(19)16(17)18)12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3/t13-,16+,18+/m1/s1
InChIKey LQLHVZIKUJUHRE-SKDZVZGDSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Auw1t78nCT
Name (5aS,8R,8aS)-5,5,8a-Trimethyl-8-phenyl-hexahydro-cyclopenta[b]oxepine-2,6-dione
Alternate Name(s) (5aS,8R,8aS)-5,5,8a-trimethyl-8-phenylhexahydro-2H-cyclopenta[b]oxepin-2,6(3H)-dione 5,5,8a-Trimethyl-8-phenylhexahydrocyclopenta[b]oxepin-2,6-dione
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Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-17(2)10-9-15(20)21-18(3)13(11-14(19)16(17)18)12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3/t13-,16+,18+/m1/s1
InChIKey LQLHVZIKUJUHRE-SKDZVZGDSA-N
Molecular Weight 286.371 g/mol
SMILES [C@@]12([C@@](C(=O)C[C@@]2(c2ccccc2)[H])(C(CCC(O1)=O)(C)C)[H])C
SPLASH splash10-0zfr-4910000000-6ec298deed003be35ff2
Source of Spectrum C5-2002-1733-18
Wiley ID 1614912