| SpectraBase Spectrum ID |
IVtHTHTTm0Q |
| Name |
Octanoate |
| Source of Sample |
SAFC Cat.no. W281107 |
| CAS Registry Number |
2306-88-9 |
| 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 |
256.240230268 u |
| Formula |
C16H32O2 |
| InChI |
InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3 |
| InChIKey |
DJNTZVRUYMHBTD-UHFFFAOYSA-N |
| Molecular Weight |
256.430 g/mol |
| Number of Peaks |
49 |
| RI1 |
1781 |
| RI2 |
1458 |
| RI3 |
1402 |
| RI4 |
1365 |
| SMILES |
CCCCCCCCOC(CCCCCCC)=O |
| SPLASH |
splash10-0a5c-9200000000-e3874f435f454c60ddc2 |
| 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, octyl ester |
| Wiley ID |
LM_FFNSC3_625 |
