| SpectraBase Spectrum ID |
Hr4ijnKZa26 |
| Name |
n-Octanoic acid isopropyl ester |
| CAS Registry Number |
5458-59-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
186.161979946 u |
| Formula |
C11H22O2 |
| InChI |
InChI=1S/C11H22O2/c1-4-5-6-7-8-9-11(12)13-10(2)3/h10H,4-9H2,1-3H3 |
| InChIKey |
WCGIIHOFOFCKSM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
186.295 g/mol |
| Nominal Mass |
186 u |
| Quality |
906 |
| Retention Index |
1290 |
| SMILES |
C(OC(C)C)(CCCCCCC)=O |
| SPLASH |
splash10-0006-9300000000-f9256f6bfaba08e5672c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
propan-2-yl octanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006963 |
