| SpectraBase Spectrum ID |
2anDrYZOXuS |
| Name |
Hex-(2E)-enoate |
| CAS Registry Number |
27829-72-7 |
| 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 |
142.099379689 u |
| Formula |
C8H14O2 |
| InChI |
InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+ |
| InChIKey |
SJRXWMQZUAOMRJ-VOTSOKGWSA-N |
| Molecular Weight |
142.198 g/mol |
| Number of Peaks |
50 |
| RI2 |
756 |
| RI4 |
1041 |
| RI5 |
713 |
| SMILES |
C(\C=C\CCC)(=O)OCC |
| SPLASH |
splash10-052b-9000000000-e3008aaf77fb87db90ee |
| 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-Hexenoic acid, ethyl ester, (2E)- |
| Wiley ID |
LM_LIPIDS2016_383 |
