| SpectraBase Spectrum ID |
C7AwLztTrck |
| Name |
Octadecanoic acid 2-methylpropyl ester |
| CAS Registry Number |
646-13-9 |
| 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 |
340.334130655 u |
| Formula |
C22H44O2 |
| InChI |
InChI=1S/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h21H,4-20H2,1-3H3 |
| InChIKey |
ORFWYUFLWUWSFM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
340.592 g/mol |
| Nominal Mass |
340 u |
| Quality |
935 |
| Retention Index |
2391 |
| SMILES |
C(OCC(C)C)(CCCCCCCCCCCCCCCCC)=O |
| SPLASH |
splash10-0a4i-9110000000-790b31f09c7d659168c1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-methylpropyl octadecanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005600 |
