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[1R-[1.alpha.(R*),3a.beta.,7a.alpha.]]octahydro-1-(5-hydroxy-1,5-di-methylhexyl)-7a-methyl-4H-inden-4-one
SpectraBase Compound ID 7haQxI9zP7A
InChI InChI=1S/C18H32O2/c1-13(7-5-11-17(2,3)20)14-9-10-15-16(19)8-6-12-18(14,15)4/h13-15,20H,5-12H2,1-4H3/t13?,14-,15+,18-/m1/s1
InChIKey GUXYSEJEKDEKNZ-KRWWSPQJSA-N
Mol Weight 280.5 g/mol
Molecular Formula C18H32O2
Exact Mass 280.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cJ9dgkgzg6
Name [1R-[1.alpha.(R*),3a.beta.,7a.alpha.]]octahydro-1-(5-hydroxy-1,5-di-methylhexyl)-7a-methyl-4H-inden-4-one
CAS Registry Number 70550-73-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O2
InChI InChI=1S/C18H32O2/c1-13(7-5-11-17(2,3)20)14-9-10-15-16(19)8-6-12-18(14,15)4/h13-15,20H,5-12H2,1-4H3/t13?,14-,15+,18-/m1/s1
InChIKey GUXYSEJEKDEKNZ-KRWWSPQJSA-N
Molecular Weight 280.452 g/mol
SMILES OC(CCCC([C@@]1([C@@]2([C@@](CC1)(C(=O)CCC2)[H])C)[H])C)(C)C
SPLASH splash10-0a4i-0930000000-fca9b2d1f8e806625a7a
Source of Spectrum J-51-3105-10
Synonyms (1R,3aR,7aR)-1-(5-hydroxy-1,5-dimethylhexyl)-7a-methyloctahydro-4H-inden-4-one (1R,3aR,7aR)-1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one (1R,3aR,7aR)-7a-methyl-1-(6-methyl-6-oxidanyl-heptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
Wiley ID 1284337