| SpectraBase Spectrum ID |
B3xnsbXjRMu |
| Name |
9-Oxo-nonanoic acid isopropyl ester |
| CAS Registry Number |
34208-02-1 |
| 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 |
214.156894565 u |
| Formula |
C12H22O3 |
| InChI |
InChI=1S/C12H22O3/c1-11(2)15-12(14)9-7-5-3-4-6-8-10-13/h10-11H,3-9H2,1-2H3 |
| InChIKey |
JJQQFLZQYQZQHF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
214.305 g/mol |
| Nominal Mass |
214 u |
| Quality |
940 |
| Retention Index |
1525 |
| SMILES |
C(OC(C)C)(CCCCCCCC=O)=O |
| SPLASH |
splash10-0a4l-9400000000-7a08a7d4f351fc6b9f51 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
propan-2-yl 9-oxononanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003428 |
