| SpectraBase Spectrum ID |
FxB2dO4XkWM |
| Name |
Heptanoate |
| Source of Sample |
SAFC Cat. #W243728 |
| CAS Registry Number |
106-30-9 |
| 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 |
158.130679818 u |
| Formula |
C9H18O2 |
| InChI |
InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3 |
| InChIKey |
TVQGDYNRXLTQAP-UHFFFAOYSA-N |
| Molecular Weight |
158.241 g/mol |
| Number of Peaks |
50 |
| RI1 |
1085 |
| RI2 |
703 |
| RI4 |
1101 |
| RI5 |
776 |
| SMILES |
C(CCCCCC)(=O)OCC |
| SPLASH |
splash10-01w3-9100000000-1da5499ba394764ee106 |
| 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 |
Heptanoic acid, ethyl ester |
| Wiley ID |
LM_LIPIDS2016_376 |
