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1,4-Dimethyl-1-(4-methyl-pentyl)-1a,2,3,4,4a,5,8a,8b-octahydro-1H-benzo[a]cyclopropa[c]cyclohepten-8-one
SpectraBase Compound ID 80KQEA5h76k
InChI InChI=1S/C20H32O/c1-13(2)7-6-12-20(4)16-11-10-14(3)15-8-5-9-17(21)18(15)19(16)20/h5,9,13-16,18-19H,6-8,10-12H2,1-4H3
InChIKey NJWNYYMSVGSERL-UHFFFAOYSA-N
Mol Weight 288.5 g/mol
Molecular Formula C20H32O
Exact Mass 288.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYpgCH3yBDC
Name 1,4-Dimethyl-1-(4-methyl-pentyl)-1a,2,3,4,4a,5,8a,8b-octahydro-1H-benzo[a]cyclopropa[c]cyclohepten-8-one
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Formula C20H32O
InChI InChI=1S/C20H32O/c1-13(2)7-6-12-20(4)16-11-10-14(3)15-8-5-9-17(21)18(15)19(16)20/h5,9,13-16,18-19H,6-8,10-12H2,1-4H3
InChIKey NJWNYYMSVGSERL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19801131217
Molecular Weight 288.475 g/mol
SMILES C12C(C3C(C3CCC1C)(CCCC(C)C)C)C(C=CC2)=O
SPLASH splash10-0l0t-9330000000-41f84e312929b6c84e7e
Source of Spectrum K-113-3863-20
Synonyms 1,4-Dimethyl-1-(4-methylpentyl)-1a,2,3,4,4a,5,8a,8b-octahydrobenzo[a]cyclopropa[c][7]annulen-8(1H)-one
Wiley ID 1794384