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(+)-14,15-Bisnorlabda-7-ene-13-one
SpectraBase Compound ID 6B7ZAOfQ1lZ
InChI InChI=1S/C18H30O/c1-13-7-10-16-17(3,4)11-6-12-18(16,5)15(13)9-8-14(2)19/h7,15-16H,6,8-12H2,1-5H3/t15-,16-,18+/m0/s1
InChIKey PPXXPCVCAHJUQP-XYJFISCASA-N
Mol Weight 262.44 g/mol
Molecular Formula C18H30O
Exact Mass 262.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsDR78eLw
Name (+)-14,15-Bisnorlabda-7-ene-13-one
Alternate Name(s) 4-((1S,4aS,8aS)-2,5,5,8a-Tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl)-butan-2-one
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Formula C18H30O
InChI InChI=1S/C18H30O/c1-13-7-10-16-17(3,4)11-6-12-18(16,5)15(13)9-8-14(2)19/h7,15-16H,6,8-12H2,1-5H3/t15-,16-,18+/m0/s1
InChIKey PPXXPCVCAHJUQP-XYJFISCASA-N
Molecular Weight 262.437 g/mol
SMILES [C@]12([C@@](CC=C([C@@]2(CCC(=O)C)[H])C)(C(C)(C)CCC1)[H])C
SPLASH splash10-0iki-0950000000-d2da251ce7e6aae9aa38
Source of Spectrum F-59-169-9
Wiley ID 1676705