| SpectraBase Spectrum ID |
CQ1dFVZ4GXB |
| Name |
2,4,6,8,10,12-Tridecahexaenoic acid, 13-(3-chloro-4-methoxyphenyl)-, 3-methoxy-2-(9-methyldecyl)-5-pentylphenyl ester |
| CAS Registry Number |
71176-03-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C43H57ClO4 |
| InChI |
InChI=1S/C43H57ClO4/c1-6-7-20-27-37-33-41(47-5)38(28-23-18-15-14-16-21-25-35(2)3)42(34-37)48-43(45)29-24-19-13-11-9-8-10-12-17-22-26-36-30-31-40(46-4)39(44)32-36/h8-13,17,19,22,24,26,29-35H,6-7,14-16,18,20-21,23,25,27-28H2,1-5H3/b10-8+,11-9+,17-12+,19-13+,26-22+,29-24- |
| InChIKey |
SQVXXAOHYUAUTM-KBXBGQPUSA-N |
| Molecular Weight |
673.378 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/c1cc(Cl)c(cc1)OC)=O |
| SPLASH |
splash10-0a4j-0394000000-72f87af42db383289677 |
| Source of Spectrum |
K-112-2005-0 |
| Synonyms |
3-Methoxy-2-(9-methyldecyl)-5-pentylphenyl (2Z,4E,6E,8E,10E,12E)-13-(3-chloro-4-methoxyphenyl)-2,4,6,8,10,12-tridecahexaenoate
Mixture of 2-decyl-5-isohexyl- and 2-isoundecyl-5-pentyl-3-meo-phenyl 13-(3-cl-4-meo)phenyl-2,4,6,8,10,12-tridecahexaencarboxylate |
| Wiley ID |
1414030 |
