| SpectraBase Spectrum ID |
GN7rMZlImS9 |
| Name |
Octadecanoic acid ethyl ester |
| CAS Registry Number |
111-61-5 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
312.302830526 u |
| Formula |
C20H40O2 |
| InChI |
InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3 |
| InChIKey |
MVLVMROFTAUDAG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
312.538 g/mol |
| Nominal Mass |
312 u |
| Quality |
997 |
| Retention Index |
2191 |
| SMILES |
C(CCCCCCCCCCCCCCCCC)(OCC)=O |
| SPLASH |
splash10-0k9i-9310000000-e5f5007d042a338c93a6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
ethyl octadecanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009866 |
