| SpectraBase Spectrum ID |
509B1IHtqdh |
| Name |
Octanoate |
| Source of Sample |
SAFC Cat.no. W272809 |
| CAS Registry Number |
111-11-5 |
| 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 |
158.130679818 u |
| Formula |
C9H18O2 |
| InChI |
InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3 |
| InChIKey |
JGHZJRVDZXSNKQ-UHFFFAOYSA-N |
| Molecular Weight |
158.241 g/mol |
| Number of Peaks |
50 |
| RI1 |
1125 |
| RI2 |
802 |
| RI3 |
800 |
| RI4 |
746 |
| SMILES |
C(CCCCCCC)(=O)OC |
| SPLASH |
splash10-00dl-9000000000-8123e30e815720166b3a |
| 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, methyl ester |
| Wiley ID |
LM_FFNSC3_464 |
