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4-[methyl-[(2E,4E)-3-methyl-1-oxo-5-(2,6,6-trimethyl-1-cyclohexenyl)penta-2,4-dienyl]amino]benzoic acid
SpectraBase Compound ID LpsExRJzexd
InChI InChI=1S/C23H29NO3/c1-16(8-13-20-17(2)7-6-14-23(20,3)4)15-21(25)24(5)19-11-9-18(10-12-19)22(26)27/h8-13,15H,6-7,14H2,1-5H3,(H,26,27)/b13-8+,16-15+
InChIKey GRWNGRDXCWBPKK-AUIWOQIESA-N
Mol Weight 367.49 g/mol
Molecular Formula C23H29NO3
Exact Mass 367.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AoWDABXBpEP
Name 4-[methyl-[(2E,4E)-3-methyl-1-oxo-5-(2,6,6-trimethyl-1-cyclohexenyl)penta-2,4-dienyl]amino]benzoic acid
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Formula C23H29NO3
InChI InChI=1S/C23H29NO3/c1-16(8-13-20-17(2)7-6-14-23(20,3)4)15-21(25)24(5)19-11-9-18(10-12-19)22(26)27/h8-13,15H,6-7,14H2,1-5H3,(H,26,27)/b13-8+,16-15+
InChIKey GRWNGRDXCWBPKK-AUIWOQIESA-N
Molecular Weight 367.489 g/mol
SMILES OC(c1ccc(N(C(\C=C\(\C=C\C2=C(CCCC2(C)C)C)C)=O)C)cc1)=O
SPLASH splash10-03di-0912000000-d90ded68bec1dd162985
Source of Spectrum F2-41-3075-10
Synonyms 4-[methyl-[(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienoyl]amino]benzoic acid
Wiley ID 1599766