| SpectraBase Spectrum ID |
FMszepvMWTb |
| Name |
Sorbate |
| Source of Sample |
SAFC Cat. #W371424 |
| CAS Registry Number |
689-89-4 |
| Classification |
Fatty esters; Fatty acid methyl esters |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
126.068079560 u |
| Formula |
C7H10O2 |
| InChI |
InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+ |
| InChIKey |
KWKVAGQCDSHWFK-VNKDHWASSA-N |
| Molecular Weight |
126.155 g/mol |
| Number of Peaks |
50 |
| RI2 |
860 |
| RI4 |
1019 |
| RI5 |
690 |
| SMILES |
C(\C=C\C=C\C)(=O)OC |
| SPLASH |
splash10-02t9-9300000000-2531a86d9221cda1ca35 |
| Sample Comments |
RI1: measured on Equity-1 (Alkanes)
RI2: measured on Supelcowax-10 (FAMEs)
RI3: measured on Supelcowax-10 (FAEEs)
RI4: measured on SLB-5ms (Alkanes)
RI5: measured on SLB-5ms (FAMEs) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
2,4-Hexadienoic acid, methyl ester, (2E,4E)- |
| Wiley ID |
LM_LIPIDS2016_369 |
