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4-{[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenoyl]amino}phenyl-2-oxobutanoate
SpectraBase Compound ID Iw7NLFegsoe
InChI InChI=1S/C30H37NO4/c1-7-27(32)29(34)35-25-16-14-24(15-17-25)31-28(33)20-22(3)11-8-10-21(2)13-18-26-23(4)12-9-19-30(26,5)6/h8,10-11,13-18,20H,7,9,12,19H2,1-6H3,(H,31,33)/b11-8+,18-13+,21-10+,22-20+
InChIKey KLRDPKJIBCZRBK-FSDIUQKZSA-N
Mol Weight 475.6 g/mol
Molecular Formula C30H37NO4
Exact Mass 475.272259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHCZwHvggbU
Name 4-{[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenoyl]amino}phenyl-2-oxobutanoate
Alternate Name(s) 15-{4-[(2-Oxobutanoyl)oxy]anilino}retinal 2-Oxobutanoic acid [4-[[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]phenyl] ester [4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenyl] 2-oxobutanoate [4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenyl] 2-oxidanylidenebutanoate
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Formula C30H37NO4
InChI InChI=1S/C30H37NO4/c1-7-27(32)29(34)35-25-16-14-24(15-17-25)31-28(33)20-22(3)11-8-10-21(2)13-18-26-23(4)12-9-19-30(26,5)6/h8,10-11,13-18,20H,7,9,12,19H2,1-6H3,(H,31,33)/b11-8+,18-13+,21-10+,22-20+
InChIKey KLRDPKJIBCZRBK-FSDIUQKZSA-N
Molecular Weight 475.629 g/mol
SMILES N(C(\C=C\(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)=O)c1ccc(OC(C(=O)CC)=O)cc1
SPLASH splash10-066r-3922000000-6d320d80dfc1351cab69
Source of Spectrum QC-23-1808-2
Wiley ID 1584007