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Benzenetridecanoic acid, 3-chloro-4-methoxy-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
SpectraBase Compound ID FhA6hgrDsOR
InChI InChI=1S/C44H71ClO4/c1-35(2)24-19-15-13-14-17-21-28-39-42(48-6)33-38(27-23-25-36(3)4)34-43(39)49-44(46)29-22-18-12-10-8-7-9-11-16-20-26-37-30-31-41(47-5)40(45)32-37/h30-36H,7-29H2,1-6H3
InChIKey KTSDNGZYYMYNIO-UHFFFAOYSA-N
Mol Weight 699.5 g/mol
Molecular Formula C44H71ClO4
Exact Mass 698.504088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wxic2vUvI1
Name Benzenetridecanoic acid, 3-chloro-4-methoxy-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
CAS Registry Number 71142-39-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H71ClO4
InChI InChI=1S/C44H71ClO4/c1-35(2)24-19-15-13-14-17-21-28-39-42(48-6)33-38(27-23-25-36(3)4)34-43(39)49-44(46)29-22-18-12-10-8-7-9-11-16-20-26-37-30-31-41(47-5)40(45)32-37/h30-36H,7-29H2,1-6H3
InChIKey KTSDNGZYYMYNIO-UHFFFAOYSA-N
Molecular Weight 699.501 g/mol
SMILES CC(C)CCCCCCCCc1c(cc(cc1OC(CCCCCCCCCCCCc1ccc(c(c1)Cl)OC)=O)CCCC(C)C)OC
SPLASH splash10-03di-0149000000-910f1dc29a2cad996e66
Source of Spectrum K-112-2008-0
Synonyms 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 13-(3-chloro-4-methoxyphenyl)tridecanoate 13-(3-chloro-4-methoxyphenyl)tridecanoic acid [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] ester [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] 13-(3-chloro-4-methoxyphenyl)tridecanoate [5-isohexyl-3-methoxy-2-(9-methyldecyl)phenyl] 13-(3-chloro-4-methoxy-phenyl)tridecanoate [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] 13-(3-chloranyl-4-methoxy-phenyl)tridecanoate
Wiley ID 1415014