| SpectraBase Spectrum ID |
I3o1UO8ltlY |
| Name |
Octanoate |
| CAS Registry Number |
29214-60-6 |
| 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 |
214.156894565 u |
| Formula |
C12H22O3 |
| InChI |
InChI=1S/C12H22O3/c1-4-6-7-8-9-11(10(3)13)12(14)15-5-2/h11H,4-9H2,1-3H3 |
| InChIKey |
BRGRZPQESQKATK-UHFFFAOYSA-N |
| Molecular Weight |
214.305 g/mol |
| Number of Peaks |
50 |
| RI1 |
1431 |
| RI2 |
1110 |
| RI3 |
1267 |
| RI4 |
1225 |
| SMILES |
CC(C(CCCCCC)C(OCC)=O)=O |
| SPLASH |
splash10-0fef-9800000000-cf3799970555d5e9e026 |
| 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-acetyl-, ethyl ester |
| Wiley ID |
LM_FFNSC3_1258 |
