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2,4,6,8,10,12,14-Pentadecaheptaenoic acid, 15-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester
SpectraBase Compound ID JXQMdbLIqww
InChI InChI=1S/C44H57ClO4/c1-5-7-9-10-11-19-22-26-30-39-42(48-4)35-38(29-24-8-6-2)36-43(39)49-44(46)31-27-23-20-17-15-13-12-14-16-18-21-25-28-37-32-33-41(47-3)40(45)34-37/h12-18,20-21,23,25,27-28,31-36H,5-11,19,22,24,26,29-30H2,1-4H3/b13-12+,16-14+,17-15+,21-18+,23-20+,28-25+,31-27-
InChIKey XMEQBYQYNLQJKW-NYUZMOAESA-N
Mol Weight 685.4 g/mol
Molecular Formula C44H57ClO4
Exact Mass 684.394538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CT4sjSWCgO7
Name 2,4,6,8,10,12,14-Pentadecaheptaenoic acid, 15-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester
Alternate Name(s) 2-decyl-3-methoxy-5-pentylphenyl (2Z,4E,6E,8E,10E,12E,14E)-15-(3-chloro-4-methoxyphenyl)-2,4,6,8,10,12,14-pentadecaheptaenoate 2-Decyl-3-methoxy-5-pentylphenyl ester of 15-(3-chloro-4-methoxyphenyl)-2,4,6,8,10,12,14-pentadecahexene carboxylic acid
CAS Registry Number 71142-36-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H57ClO4
InChI InChI=1S/C44H57ClO4/c1-5-7-9-10-11-19-22-26-30-39-42(48-4)35-38(29-24-8-6-2)36-43(39)49-44(46)31-27-23-20-17-15-13-12-14-16-18-21-25-28-37-32-33-41(47-3)40(45)34-37/h12-18,20-21,23,25,27-28,31-36H,5-11,19,22,24,26,29-30H2,1-4H3/b13-12+,16-14+,17-15+,21-18+,23-20+,28-25+,31-27-
InChIKey XMEQBYQYNLQJKW-NYUZMOAESA-N
Molecular Weight 685.389 g/mol
SMILES c1(c(c(OC)cc(c1)CCCCC)CCCCCCCCCC)OC(\C=C/C=C/C=C/C=C/C=C/C=C/C=C/c1cc(Cl)c(cc1)OC)=O
SPLASH splash10-0a4i-0493001000-675bd79b1350d6428bb0
Source of Spectrum K-112-2006-0
Wiley ID 1414489