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2-[9'-(Benzenesulfonyl)-3',7',11',15',19'-pentamethylicosa-2',6',10',14',18'-pentaenyl]-4-methoxyphenol
SpectraBase Compound ID 2fYo2lcRLC7
InChI InChI=1S/C38H52O4S/c1-29(2)14-11-15-30(3)16-12-18-32(5)26-37(43(40,41)36-20-9-8-10-21-36)27-33(6)19-13-17-31(4)22-23-34-28-35(42-7)24-25-38(34)39/h8-10,14,16,19-22,24-26,28,37,39H,11-13,15,17-18,23,27H2,1-7H3/b30-16+,31-22+,32-26+,33-19+
InChIKey QCYFOHWZLYUBKZ-HFAXTCMRSA-N
Mol Weight 604.9 g/mol
Molecular Formula C38H52O4S
Exact Mass 604.358631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9l1ftxQf96h
Name 2-[9'-(Benzenesulfonyl)-3',7',11',15',19'-pentamethylicosa-2',6',10',14',18'-pentaenyl]-4-methoxyphenol
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Formula C38H52O4S
InChI InChI=1S/C38H52O4S/c1-29(2)14-11-15-30(3)16-12-18-32(5)26-37(43(40,41)36-20-9-8-10-21-36)27-33(6)19-13-17-31(4)22-23-34-28-35(42-7)24-25-38(34)39/h8-10,14,16,19-22,24-26,28,37,39H,11-13,15,17-18,23,27H2,1-7H3/b30-16+,31-22+,32-26+,33-19+
InChIKey QCYFOHWZLYUBKZ-HFAXTCMRSA-N
Molecular Weight 604.890 g/mol
SMILES Oc1c(C\C=C\(CC\C=C\(CC(S(=O)(=O)c2ccccc2)\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C)cc(cc1)OC
SPLASH splash10-014i-9100000000-3873a662862da76affd0
Source of Spectrum AC-134-79-5
Synonyms 4-Methoxy-2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethyl-9-(phenylsulfonyl)-2,6,10,14,18-icosapentaenyl]phenol
Wiley ID 812444