| SpectraBase Compound ID | J6X83BXqRlN |
|---|---|
| InChI | InChI=1S/C21H41BrO2/c1-3-5-6-7-8-9-10-11-12-13-17-20(16-4-2)24-21(23)18-14-15-19-22/h20H,3-19H2,1-2H3 |
| InChIKey | DBFLPCQSFPWVRL-UHFFFAOYSA-N |
| Mol Weight | 405.5 g/mol |
| Molecular Formula | C21H41BrO2 |
| Exact Mass | 404.228994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 244moeJREsZ |
|---|---|
| Name | 5-Bromovaleric acid, 4-hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.228993558 u |
| Formula | C21H41BrO2 |
| InChI | InChI=1S/C21H41BrO2/c1-3-5-6-7-8-9-10-11-12-13-17-20(16-4-2)24-21(23)18-14-15-19-22/h20H,3-19H2,1-2H3 |
| InChIKey | DBFLPCQSFPWVRL-UHFFFAOYSA-N |
| Molecular Weight | 405.461 g/mol |
| SMILES | CCCC(OC(CCCCBr)=O)CCCCCCCCCCCC |