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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-1-propanesulfonate
SpectraBase Compound ID NRo54VurSq
InChI InChI=1S/C29H39NO4S/c1-7-20-35(32,33)34-26-16-14-25(15-17-26)30-28(31)21-23(3)11-8-10-22(2)13-18-27-24(4)12-9-19-29(27,5)6/h8,10-11,13-18,21H,7,9,12,19-20H2,1-6H3,(H,30,31)/b11-8+,18-13+,22-10+,23-21+
InChIKey HOJRDVAKRYAKAR-WOMWANRLSA-N
Mol Weight 497.7 g/mol
Molecular Formula C29H39NO4S
Exact Mass 497.25998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0ZBCuLJwLM
Name 4-{[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenoyl]amino}phenyl-1-propanesulfonate
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Formula C29H39NO4S
InChI InChI=1S/C29H39NO4S/c1-7-20-35(32,33)34-26-16-14-25(15-17-26)30-28(31)21-23(3)11-8-10-22(2)13-18-27-24(4)12-9-19-29(27,5)6/h8,10-11,13-18,21H,7,9,12,19-20H2,1-6H3,(H,30,31)/b11-8+,18-13+,22-10+,23-21+
InChIKey HOJRDVAKRYAKAR-WOMWANRLSA-N
Molecular Weight 497.694 g/mol
SMILES N(C(\C=C\(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)=O)c1ccc(OS(=O)(=O)CCC)cc1
SPLASH splash10-0a4j-0910500000-3f730629432b373a2b2c
Source of Spectrum QC-23-1809-6
Synonyms 15-{4-[(Propylsulfonyl)oxy]anilino}retinal
Wiley ID 1584003