| SpectraBase Spectrum ID |
AqKcRUo6Wws |
| Name |
Heptanoate |
| Source of Sample |
SAFC Cat.no. W203106 |
| CAS Registry Number |
142-19-8 |
| 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/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3 |
| InChIKey |
SJWKGDGUQTWDRV-UHFFFAOYSA-N |
| Molecular Weight |
170.252 g/mol |
| Number of Peaks |
50 |
| RI1 |
1182 |
| RI2 |
860 |
| RI3 |
876 |
| RI4 |
831 |
| SMILES |
C=CCOC(CCCCCC)=O |
| SPLASH |
splash10-0006-9200000000-ad2e196e8d01aa350e18 |
| 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 |
Heptanoic acid, 2-propenyl ester |
| Wiley ID |
LM_FFNSC3_174 |
