| SpectraBase Spectrum ID |
9IOQFbNjbJu |
| Name |
Hex-(2E)-enyl <3-methyl-> butanoate |
| CAS Registry Number |
68698-59-9 |
| 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 |
184.146329882 u |
| Formula |
C11H20O2 |
| InChI |
InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+ |
| InChIKey |
SAVRWHQEMHIAEB-VOTSOKGWSA-N |
| Molecular Weight |
184.279 g/mol |
| Number of Peaks |
50 |
| RI1 |
1243 |
| RI2 |
921 |
| RI3 |
912 |
| RI4 |
867 |
| SMILES |
C(OC(CC(C)C)=O)\C=C\CCC |
| SPLASH |
splash10-0a4r-9000000000-0c9de6283bcf750ce4e5 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Butanoic acid, 3-methyl-, (2E)-2-hexenyl ester |
| Wiley ID |
LM_FFNSC3_1400 |
