| SpectraBase Spectrum ID |
8GH5IyR1Nnk |
| Name |
Heptanoate |
| Source of Sample |
SAFC Cat.no. W294802 |
| CAS Registry Number |
7778-87-2 |
| 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 |
172.146329882 u |
| Formula |
C10H20O2 |
| InChI |
InChI=1S/C10H20O2/c1-3-5-6-7-8-10(11)12-9-4-2/h3-9H2,1-2H3 |
| InChIKey |
UWZVPQKWYFZLLW-UHFFFAOYSA-N |
| Molecular Weight |
172.268 g/mol |
| Number of Peaks |
50 |
| RI1 |
1195 |
| RI2 |
873 |
| RI3 |
826 |
| RI4 |
783 |
| SMILES |
C(CCCCCC)(=O)OCCC |
| SPLASH |
splash10-01ox-9200000000-ea051e9ddf5760c7c3b3 |
| 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, propyl ester |
| Wiley ID |
LM_FFNSC3_656 |
