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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID bFa6pbCeNr
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
Comments Computed using HOSE algorithm
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Exact Mass 475.272258671 u
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 C1(\C=C\C(=C\C=C\C(=C\C(NC2=CC=C(OC(C(=O)CC)=O)C=C2)=O)C)C)=C(CCCC1(C)C)C