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4-(Butyrylamino)phenyl (2E,4E,6E,8E)-[3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoate
SpectraBase Compound ID Lg7h6bZI6Zq
InChI InChI=1S/C30H39NO3/c1-7-10-28(32)31-25-15-17-26(18-16-25)34-29(33)21-23(3)12-8-11-22(2)14-19-27-24(4)13-9-20-30(27,5)6/h8,11-12,14-19,21H,7,9-10,13,20H2,1-6H3,(H,31,32)/b12-8+,19-14+,22-11+,23-21+
InChIKey HTNQYAHNLYASHD-DCCFLZCMSA-N
Mol Weight 461.6 g/mol
Molecular Formula C30H39NO3
Exact Mass 461.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DRyDH0T0GS
Name 4-(Butyrylamino)phenyl (2E,4E,6E,8E)-[3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoate
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Formula C30H39NO3
InChI InChI=1S/C30H39NO3/c1-7-10-28(32)31-25-15-17-26(18-16-25)34-29(33)21-23(3)12-8-11-22(2)14-19-27-24(4)13-9-20-30(27,5)6/h8,11-12,14-19,21H,7,9-10,13,20H2,1-6H3,(H,31,32)/b12-8+,19-14+,22-11+,23-21+
InChIKey HTNQYAHNLYASHD-DCCFLZCMSA-N
Molecular Weight 461.646 g/mol
SMILES N(C(=O)CCC)c1ccc(OC(\C=C\(\C=C\C=C\(\C=C\C2=C(CCCC2(C)C)C)C)C)=O)cc1
SPLASH splash10-03di-0011900000-85ecc94f8be35f3dd18c
Source of Spectrum E2-52-505-2
Synonyms (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid [4-(1-oxobutylamino)phenyl] ester [4-(butanoylamino)phenyl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
Wiley ID 1556401