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(2S,3R,4S)-1-(1'-Methylethenyl)-2-(2"-cyanoethyl)-3-[4',8',12'-trimethyltrideca-3',7',11'-trienyl]-3,4-dimethylcyclohex-1-ene
SpectraBase Compound ID yyHXGVwF0I
InChI InChI=1S/C30H47N/c1-23(2)13-9-14-25(5)15-10-16-26(6)17-11-21-30(8)27(7)19-20-28(24(3)4)29(30)18-12-22-31/h13,15,17,20,27,29H,3,9-12,14,16,18-19,21H2,1-2,4-8H3/b25-15+,26-17+/t27-,29+,30+/m0/s1
InChIKey PZILGYKERJFOLO-XXWDTJAXSA-N
Mol Weight 421.7 g/mol
Molecular Formula C30H47N
Exact Mass 421.370851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdcZnKrbiM8
Name (2S,3R,4S)-1-(1'-Methylethenyl)-2-(2"-cyanoethyl)-3-[4',8',12'-trimethyltrideca-3',7',11'-trienyl]-3,4-dimethylcyclohex-1-ene
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Formula C30H47N
InChI InChI=1S/C30H47N/c1-23(2)13-9-14-25(5)15-10-16-26(6)17-11-21-30(8)27(7)19-20-28(24(3)4)29(30)18-12-22-31/h13,15,17,20,27,29H,3,9-12,14,16,18-19,21H2,1-2,4-8H3/b25-15+,26-17+/t27-,29+,30+/m0/s1
InChIKey PZILGYKERJFOLO-XXWDTJAXSA-N
Molecular Weight 421.713 g/mol
SMILES C=1([C@]([C@@](CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)(C)[C@](CC1)(C)[H])(CCC#N)[H])C(=C)C
SPLASH splash10-014l-9200000000-2d80d82989de30607c23
Source of Spectrum X2-58-322-10
Synonyms 1-(1'-Methylethenyl)-2-(2''-cyanoethyl)-3-[4',8',12'-trimethyltrideca-3',7',11'-trienyl]-3,4-dimethylcyclohex-1-ene 3-{(1S,5S,6R)-2-isopropenyl-5,6-dimethyl-6-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2-cyclohexen-1-yl}propanenitrile
Wiley ID 1605876