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(all-E)-1-Benzyloxy-3,7,11,15,19,23,27-heptamethyl-13-phenylsulfanyloctacosa-2,6,10,14,18,22,26-heptaene

View entire compound with spectra: 1 MS (GC)

(all-E)-1-Benzyloxy-3,7,11,15,19,23,27-heptamethyl-13-phenylsulfanyloctacosa-2,6,10,14,18,22,26-heptaene
SpectraBase Compound ID HwOJIcwJSgw
InChI InChI=1S/C48H68OS/c1-39(2)20-15-21-40(3)22-16-23-41(4)25-18-28-44(7)36-48(50-47-32-13-10-14-33-47)37-45(8)29-19-26-42(5)24-17-27-43(6)34-35-49-38-46-30-11-9-12-31-46/h9-14,20,22,24-25,29-34,36,48H,15-19,21,23,26-28,35,37-38H2,1-8H3/b40-22+,41-25+,42-24+,43-34+,44-36+,45-29+
InChIKey QHRLVFQWRGYZIK-QNVOMLCNSA-N
Mol Weight 693.1 g/mol
Molecular Formula C48H68OS
Exact Mass 692.499088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H9cuMYngN9v
Name (all-E)-1-Benzyloxy-3,7,11,15,19,23,27-heptamethyl-13-phenylsulfanyloctacosa-2,6,10,14,18,22,26-heptaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H68OS
InChI InChI=1S/C48H68OS/c1-39(2)20-15-21-40(3)22-16-23-41(4)25-18-28-44(7)36-48(50-47-32-13-10-14-33-47)37-45(8)29-19-26-42(5)24-17-27-43(6)34-35-49-38-46-30-11-9-12-31-46/h9-14,20,22,24-25,29-34,36,48H,15-19,21,23,26-28,35,37-38H2,1-8H3/b40-22+,41-25+,42-24+,43-34+,44-36+,45-29+
InChIKey QHRLVFQWRGYZIK-QNVOMLCNSA-N
Molecular Weight 693.131 g/mol
SMILES C(\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)(Sc1ccccc1)C\C(=C\CC\C(=C\CC\C(=C\COCc1ccccc1)C)C)C
SPLASH splash10-0600-4901100000-1b3b3d2006b0f1b15693
Source of Spectrum K-2001-717-10
Synonyms ({(2E,6E,10E)-1-[(2E,6E,10E)-12-(benzyloxy)-2,6,10-trimethyl-2,6,10-dodecatrienyl]-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl}sulfanyl)benzene benzyl (2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-13-(phenylsulfanyl)-2,6,10,14,18,22,26-octacosaheptaenyl ether [[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-1-phenylmethoxyoctacosa-2,6,10,14,18,22,26-heptaen-13-yl]thio]benzene [(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-1-phenylmethoxyoctacosa-2,6,10,14,18,22,26-heptaen-13-yl]sulfanylbenzene [(2E,6E,10E)-1-[(2E,6E,10E)-12-benzyloxy-2,6,10-trimethyl-dodeca-2,6,10-trienyl]-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraenyl]sulfanylbenzene [(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-1-phenylmethoxy-octacosa-2,6,10,14,18,22,26-heptaen-13-yl]sulfanylbenzene
Wiley ID 1578769