| SpectraBase Spectrum ID |
CpGmup6yQHx |
| Name |
Octanoate |
| Source of Sample |
SAFC Cat.no. W208000 |
| CAS Registry Number |
2035-99-6 |
| 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 |
214.193280075 u |
| Formula |
C13H26O2 |
| InChI |
InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3 |
| InChIKey |
XKWSWANXMRXDES-UHFFFAOYSA-N |
| Molecular Weight |
214.349 g/mol |
| Number of Peaks |
50 |
| RI1 |
1449 |
| RI2 |
1127 |
| RI3 |
1065 |
| RI4 |
1023 |
| SMILES |
CC(CCOC(CCCCCCC)=O)C |
| SPLASH |
splash10-00di-9000000000-10e1c422c50153c34bdc |
| 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, 3-methylbutyl ester |
| Wiley ID |
LM_FFNSC3_712 |
