| SpectraBase Spectrum ID |
8OJBNnht0Ik |
| Name |
Octanoic acid benzylester |
| CAS Registry Number |
10276-85-4 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
234.161979946 u |
| Formula |
C15H22O2 |
| InChI |
InChI=1S/C15H22O2/c1-2-3-4-5-9-12-15(16)17-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3 |
| InChIKey |
MWQWCHLIPMDVLS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
234.339 g/mol |
| Nominal Mass |
234 u |
| Quality |
933 |
| Retention Index |
1726 |
| SMILES |
C=1(COC(CCCCCCC)=O)C=CC=CC1 |
| SPLASH |
splash10-052f-9500000000-3582340a15caa4504191 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Octanoic acid,phenylmethyl ester
Benzyl octanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_023834 |
