| SpectraBase Spectrum ID |
GijunDm1jHh |
| Name |
Octanoate |
| Source of Sample |
SAFC Cat.no. W257508 |
| CAS Registry Number |
1117-55-1 |
| 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 |
228.208930140 u |
| Formula |
C14H28O2 |
| InChI |
InChI=1S/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3 |
| InChIKey |
PBGWNXWNCSSXCO-UHFFFAOYSA-N |
| Molecular Weight |
228.376 g/mol |
| Number of Peaks |
50 |
| RI1 |
1583 |
| RI2 |
1261 |
| RI3 |
1212 |
| RI4 |
1170 |
| SMILES |
C(CCCCC(OCCCCCC)=O)CC |
| SPLASH |
splash10-0a5c-9200000000-80ebd02274fd75222f15 |
| 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 |
Octanoic acid, hexyl ester |
| Wiley ID |
LM_FFNSC3_230 |
