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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-butanesulfonate
SpectraBase Compound ID CPEQxVAqn8x
InChI InChI=1S/C30H41NO4S/c1-7-8-21-35-36(33,34)27-17-15-26(16-18-27)31-29(32)22-24(3)12-9-11-23(2)14-19-28-25(4)13-10-20-30(28,5)6/h9,11-12,14-19,22H,7-8,10,13,20-21H2,1-6H3,(H,31,32)/b12-9+,19-14+,23-11+,24-22+
InChIKey LCIMUFJMRXSNGV-BLXWSQONSA-N
Mol Weight 511.7 g/mol
Molecular Formula C30H41NO4S
Exact Mass 511.27563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzsvSbLok6q
Name 4-{[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenoyl]amino}phenyl-1-butanesulfonate
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Formula C30H41NO4S
InChI InChI=1S/C30H41NO4S/c1-7-8-21-35-36(33,34)27-17-15-26(16-18-27)31-29(32)22-24(3)12-9-11-23(2)14-19-28-25(4)13-10-20-30(28,5)6/h9,11-12,14-19,22H,7-8,10,13,20-21H2,1-6H3,(H,31,32)/b12-9+,19-14+,23-11+,24-22+
InChIKey LCIMUFJMRXSNGV-BLXWSQONSA-N
Molecular Weight 511.721 g/mol
SMILES N(C(\C=C\(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)=O)c1ccc(S(=O)(=O)OCCCC)cc1
SPLASH splash10-0bt9-0900080000-d3079398834fbac9e13b
Source of Spectrum QC-23-1809-7
Synonyms 15-[4-(Butoxysulfonyl)anilino]retinal
Wiley ID 1584002