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2,4,6,8,10,12,14-Pentadecaheptaenoic acid, 15-(3-chloro-4-methoxyphenyl)-, 3-methoxy-2-(9-methyldecyl)-5-pentylphenyl ester
SpectraBase Compound ID ENqCaUSC8fx
InChI InChI=1S/C45H59ClO4/c1-6-7-22-29-39-35-43(49-5)40(30-25-20-17-16-18-23-27-37(2)3)44(36-39)50-45(47)31-26-21-15-13-11-9-8-10-12-14-19-24-28-38-32-33-42(48-4)41(46)34-38/h8-15,19,21,24,26,28,31-37H,6-7,16-18,20,22-23,25,27,29-30H2,1-5H3/b9-8+,12-10+,13-11+,19-14+,21-15+,28-24+,31-26-
InChIKey HFLXTLLPFZOFBW-IPJSGESYSA-N
Mol Weight 699.4 g/mol
Molecular Formula C45H59ClO4
Exact Mass 698.410188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mM679RuyyX
Name 2,4,6,8,10,12,14-Pentadecaheptaenoic acid, 15-(3-chloro-4-methoxyphenyl)-, 3-methoxy-2-(9-methyldecyl)-5-pentylphenyl ester
CAS Registry Number 71142-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H59ClO4
InChI InChI=1S/C45H59ClO4/c1-6-7-22-29-39-35-43(49-5)40(30-25-20-17-16-18-23-27-37(2)3)44(36-39)50-45(47)31-26-21-15-13-11-9-8-10-12-14-19-24-28-38-32-33-42(48-4)41(46)34-38/h8-15,19,21,24,26,28,31-37H,6-7,16-18,20,22-23,25,27,29-30H2,1-5H3/b9-8+,12-10+,13-11+,19-14+,21-15+,28-24+,31-26-
InChIKey HFLXTLLPFZOFBW-IPJSGESYSA-N
Molecular Weight 699.416 g/mol
SMILES c1(c(c(OC)cc(c1)CCCCC)CCCCCCCCC(C)C)OC(\C=C/C=C/C=C/C=C/C=C/C=C/C=C/c1cc(Cl)c(cc1)OC)=O
SPLASH splash10-0aba-0196000000-1ff45248cedfd38fc270
Source of Spectrum K-112-2006-0
Synonyms 2-(9-Methyldecyl)-5-pentyl- and 2-decyl-5-(4-methylpentyl)-3-methoxyphenyl esters of 15-(3-cl-4-meo-phenyl-2,4,6,8,10,12,14-pentadecaheptencar 3-Methoxy-2-(9-methyldecyl)-5-pentylphenyl (2Z,4E,6E,8E,10E,12E,14E)-15-(3-chloro-4-methoxyphenyl)-2,4,6,8,10,12,14-pentadecaheptaenoate Mixture of 2-decyl-5-isohexyl- and 2-isoundecyl-5-pentyl-3-meo-phenyl 15-(3-cl-4-meo)phenyl-2,4,6,8,10,10,12,14-pentadecaheptaencarboxylates
Wiley ID 1415015