| SpectraBase Spectrum ID |
9oSkkInPr5B |
| Name |
Octanoate |
| Source of Sample |
SAFC Cat.no. W322202 |
| CAS Registry Number |
5457-70-5 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
248.177630011 u |
| Formula |
C16H24O2 |
| InChI |
InChI=1S/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3 |
| InChIKey |
ASETYIALRXDVDF-UHFFFAOYSA-N |
| Molecular Weight |
248.366 g/mol |
| Number of Peaks |
50 |
| RI1 |
1848 |
| RI2 |
1524 |
| RI5 |
1768 |
| SMILES |
C(CCCCCCC)(=O)OCCc1ccccc1 |
| SPLASH |
splash10-0udi-4900000000-142c9d50e2b5f61efa16 |
| 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, 2-phenylethyl ester |
| Wiley ID |
LM_FFNSC3_261 |
