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[3aR-(3a.alpha.,4.beta.,6a.alpha.,7.beta.,7a.alpha.,7b.alpha.)]-Octahydro-4,7-dimethyl-7-(4-methylpentyl)cyclobuta[ij][2]benzopyran-2(3H)-one

View entire compound with spectra: 1 MS (GC)

[3aR-(3a.alpha.,4.beta.,6a.alpha.,7.beta.,7a.alpha.,7b.alpha.)]-Octahydro-4,7-dimethyl-7-(4-methylpentyl)cyclobuta[ij][2]benzopyran-2(3H)-one
SpectraBase Compound ID HGKxkZMGvcm
InChI InChI=1S/C18H30O2/c1-11(2)6-5-9-18(4)14-8-7-12(3)13-10-15(19)20-17(18)16(13)14/h11-14,16-17H,5-10H2,1-4H3/t12-,13-,14+,16?,17-,18+/m1/s1
InChIKey ICDDYCCCICKPNK-RSNFVWLGSA-N
Mol Weight 278.44 g/mol
Molecular Formula C18H30O2
Exact Mass 278.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNsCwvsOvJu
Name [3aR-(3a.alpha.,4.beta.,6a.alpha.,7.beta.,7a.alpha.,7b.alpha.)]-Octahydro-4,7-dimethyl-7-(4-methylpentyl)cyclobuta[ij][2]benzopyran-2(3H)-one
CAS Registry Number 77912-06-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O2
InChI InChI=1S/C18H30O2/c1-11(2)6-5-9-18(4)14-8-7-12(3)13-10-15(19)20-17(18)16(13)14/h11-14,16-17H,5-10H2,1-4H3/t12-,13-,14+,16?,17-,18+/m1/s1
InChIKey ICDDYCCCICKPNK-RSNFVWLGSA-N
Molecular Weight 278.436 g/mol
SMILES C12[C@]3(OC(C[C@@]2([C@@](CC[C@@]1([C@@]3(CCCC(C)C)C)[H])(C)[H])[H])=O)[H]
SPLASH splash10-00g3-0930000000-dfec71a35a4626ff8ec3
Source of Spectrum F-36-3259-0
Synonyms (3aR,4R,6aS,7S,7aR)-4,7-dimethyl-7-(4-methylpentyl)octahydrocyclobuta[ij][2]benzopyran-2(3H)-one
Wiley ID 1282449