For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzenetridecanoic acid, 4-methoxy-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
SpectraBase Compound ID ENycJrexCz9
InChI InChI=1S/C44H72O4/c1-36(2)24-19-15-13-14-17-21-28-41-42(47-6)34-39(27-23-25-37(3)4)35-43(41)48-44(45)29-22-18-12-10-8-7-9-11-16-20-26-38-30-32-40(46-5)33-31-38/h30-37H,7-29H2,1-6H3
InChIKey LSSNWMWRADBUQT-UHFFFAOYSA-N
Mol Weight 665.1 g/mol
Molecular Formula C44H72O4
Exact Mass 664.543061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9eGjFDuZsor
Name Benzenetridecanoic acid, 4-methoxy-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
CAS Registry Number 71142-41-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H72O4
InChI InChI=1S/C44H72O4/c1-36(2)24-19-15-13-14-17-21-28-41-42(47-6)34-39(27-23-25-37(3)4)35-43(41)48-44(45)29-22-18-12-10-8-7-9-11-16-20-26-38-30-32-40(46-5)33-31-38/h30-37H,7-29H2,1-6H3
InChIKey LSSNWMWRADBUQT-UHFFFAOYSA-N
Molecular Weight 665.056 g/mol
SMILES c1(c(c(OC)cc(c1)CCCC(C)C)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCc1ccc(cc1)OC
SPLASH splash10-03k9-0249001000-088827d9bb513ea1f8f7
Source of Spectrum K-112-2008-0
Synonyms 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 13-(4-methoxyphenyl)tridecanoate 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenylester of 13-(4-methoxyphenyl)tridecancarboxylic acid 13-(4-methoxyphenyl)tridecanoic acid [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] ester [5-isohexyl-3-methoxy-2-(9-methyldecyl)phenyl] 13-(4-methoxyphenyl)tridecanoate [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] 13-(4-methoxyphenyl)tridecanoate
Wiley ID 1413720