| SpectraBase Spectrum ID |
3t4qIWSGFTf |
| Name |
Docosanoic acid,methyl ester |
| CAS Registry Number |
929-77-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
354.349780719 u |
| Formula |
C23H46O2 |
| InChI |
InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3 |
| InChIKey |
QSQLTHHMFHEFIY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
354.619 g/mol |
| Nominal Mass |
354 u |
| Quality |
958 |
| Retention Index |
2491 |
| SMILES |
C(CCCCCCCCCCCCCCCCCCCCC)(OC)=O |
| SPLASH |
splash10-05g3-9100000000-7ad05e580ed745d6a851 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl docosanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025372 |
