| SpectraBase Spectrum ID |
FRvqwiZqyLn |
| Name |
Hex-(3E)-enoate <3-methyl-> |
| Source of Sample |
SAFC Cat. #W33640 |
| CAS Registry Number |
13894-61-6 |
| Classification |
Fatty esters; Fatty acid methyl 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 |
128.083729624 u |
| Formula |
C7H12O2 |
| InChI |
InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4+ |
| InChIKey |
XEAIHUDTEINXFG-SNAWJCMRSA-N |
| Molecular Weight |
128.171 g/mol |
| Number of Peaks |
50 |
| RI2 |
668 |
| RI4 |
922 |
| RI5 |
601 |
| SMILES |
C(C\C=C\CC)(=O)OC |
| SPLASH |
splash10-01bc-9000000000-3a595aab0472eafef315 |
| 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 |
3-Hexenoic acid, methyl ester, (3E)- |
| Wiley ID |
LM_LIPIDS2016_370 |
