| SpectraBase Spectrum ID |
FglLjj3QQZ7 |
| Name |
Octanoate |
| CAS Registry Number |
59558-23-5 |
| 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 |
234.161979946 u |
| Formula |
C15H22O2 |
| InChI |
InChI=1S/C15H22O2/c1-3-4-5-6-7-8-15(16)17-14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3 |
| InChIKey |
ALRYNTSLFYRKGF-UHFFFAOYSA-N |
| Molecular Weight |
234.339 g/mol |
| Number of Peaks |
50 |
| RI1 |
1774 |
| RI2 |
1451 |
| SMILES |
c1(ccc(cc1)C)OC(CCCCCCC)=O |
| SPLASH |
splash10-0a4i-5900000000-410ab9b19defd5ae5a51 |
| 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, 4-methylphenyl ester |
| Wiley ID |
LM_FFNSC3_1214 |
