| SpectraBase Compound ID | 5CWkP3n3AW5 |
|---|---|
| InChI | InChI=1S/C18H35BrO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-21-18(20)15-12-13-16-19/h2-17H2,1H3 |
| InChIKey | HVGBJOBIODVPDH-UHFFFAOYSA-N |
| Mol Weight | 363.4 g/mol |
| Molecular Formula | C18H35BrO2 |
| Exact Mass | 362.182043 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 | JDKfVTjwb2O |
|---|---|
| Name | 5-Bromovaleric acid, tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.182043365 u |
| Formula | C18H35BrO2 |
| InChI | InChI=1S/C18H35BrO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-21-18(20)15-12-13-16-19/h2-17H2,1H3 |
| InChIKey | HVGBJOBIODVPDH-UHFFFAOYSA-N |
| Molecular Weight | 363.380 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCC)CCCCBr |