| SpectraBase Spectrum ID |
BQ9wMeWLClF |
| Name |
Sorbate |
| Source of Sample |
SAFC Cat. #W245909 |
| CAS Registry Number |
2396-84-1 |
| Classification |
Fatty esters; Fatty acid ethyl esters |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
140.083729624 u |
| Formula |
C8H12O2 |
| InChI |
InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+ |
| InChIKey |
OZZYKXXGCOLLLO-TWTPFVCWSA-N |
| Molecular Weight |
140.182 g/mol |
| Number of Peaks |
50 |
| RI2 |
913 |
| RI4 |
1102 |
| RI5 |
777 |
| SMILES |
C(\C=C\C=C\C)(=O)OCC |
| SPLASH |
splash10-00ke-9100000000-db3b49bfd8cdbbbb10d8 |
| 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, ethyl ester, (2E,4E)- |
| Wiley ID |
LM_LIPIDS2016_380 |
