| SpectraBase Spectrum ID |
2pKVynnA1K4 |
| Name |
3-Methylbutyl hexadecanoate |
| CAS Registry Number |
81974-61-0 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
326.318480590 u |
| Formula |
C21H42O2 |
| InChI |
InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)23-19-18-20(2)3/h20H,4-19H2,1-3H3 |
| InChIKey |
NXBIDOXPIIWDMX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
326.565 g/mol |
| Nominal Mass |
326 u |
| Quality |
976 |
| Retention Index |
2291 |
| SMILES |
C(OCCC(C)C)(CCCCCCCCCCCCCCC)=O |
| SPLASH |
splash10-00di-9000000000-0c533f491b6ef6aa87c4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-methylbutyl-hexadecanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032574 |
