| SpectraBase Spectrum ID |
KOiLdKS7fco |
| Name |
Oct-(4E)-enoic acid ester |
| Source of Sample |
SAFC Cat. #W526304 |
| CAS Registry Number |
78989-37-4 |
| Classification |
Fatty esters; Fatty acid ethyl 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 |
170.130679818 u |
| Formula |
C10H18O2 |
| InChI |
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+ |
| InChIKey |
WRUZCQAJIHSQPL-VOTSOKGWSA-N |
| Molecular Weight |
170.252 g/mol |
| Number of Peaks |
50 |
| RI1 |
1174 |
| RI2 |
829 |
| RI4 |
1189 |
| RI5 |
874 |
| SMILES |
C(CC\C=C\CCC)(=O)OCC |
| SPLASH |
splash10-05am-9000000000-b03abfc7356167c0718d |
| 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 |
4-Octenoic acid, ethyl ester, (4E)- |
| Wiley ID |
LM_LIPIDS2016_374 |
