| SpectraBase Spectrum ID |
JHNiy6NoOZ6 |
| Name |
Eicosanoic acid 4-methyl-benzyl ester |
| Classification |
Chemical |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
416.365430784 u |
| Formula |
C28H48O2 |
| InChI |
InChI=1S/C28H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(29)30-25-27-23-21-26(2)22-24-27/h21-24H,3-20,25H2,1-2H3 |
| InChIKey |
HPMJFRKZHFLFAA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
416.690 g/mol |
| Nominal Mass |
416 u |
| Quality |
897 |
| Retention Index |
3093 |
| SMILES |
C=1(C=CC(=CC1)C)COC(CCCCCCCCCCCCCCCCCCC)=O |
| SPLASH |
splash10-0a4i-4900000000-bc1df25aa43506b76ab8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-methylbenzyl icosanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006062 |
