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1-(2,3,4-Trimethyl1-oxocyclohex-3-yl)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraene isomer
SpectraBase Compound ID ApJM2UHxpj2
InChI InChI=1S/C30H50O/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)21-22-30(8)27(6)19-20-29(31)28(30)7/h13-15,18,27-28H,9-12,16-17,19-22H2,1-8H3/b24-14+,25-18+,26-15+/t27-,28-,30?/m1/s1
InChIKey NCOSIJSSLOKKEM-GEUGLSEYSA-N
Mol Weight 426.7 g/mol
Molecular Formula C30H50O
Exact Mass 426.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3hRkEQV5W8
Name 1-(2,3,4-Trimethyl1-oxocyclohex-3-yl)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraene isomer
Alternate Name(s) (2R,3S,4R)-1-(2,3,4-Trimethyl1-oxocyclohex-3-yl)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraene isomer
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Formula C30H50O
InChI InChI=1S/C30H50O/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)21-22-30(8)27(6)19-20-29(31)28(30)7/h13-15,18,27-28H,9-12,16-17,19-22H2,1-8H3/b24-14+,25-18+,26-15+/t27-,28-,30?/m1/s1
InChIKey NCOSIJSSLOKKEM-GEUGLSEYSA-N
Molecular Weight 426.729 g/mol
SMILES [C@@]1([C@](C(=O)CC[C@]1(C)[H])(C)[H])(CC\C(=C\CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C
SPLASH splash10-014r-8910000000-61293c22357c55c5457b
Source of Spectrum KC-0-790-18
Wiley ID 780989