| SpectraBase Compound ID | Eio6wjTAsFE |
|---|---|
| InChI | InChI=1S/C18H25BrO2/c1-2-3-4-5-6-7-8-9-10-15-21-18(20)16-11-13-17(19)14-12-16/h9-14H,2-8,15H2,1H3/b10-9+ |
| InChIKey | PTJQZPBXJDRGFY-MDZDMXLPSA-N |
| Mol Weight | 353.3 g/mol |
| Molecular Formula | C18H25BrO2 |
| Exact Mass | 352.103793 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 | Jekvs2Ei4xh |
|---|---|
| Name | 4-Bromobenzoic acid, undec-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.103793043 u |
| Formula | C18H25BrO2 |
| InChI | InChI=1S/C18H25BrO2/c1-2-3-4-5-6-7-8-9-10-15-21-18(20)16-11-13-17(19)14-12-16/h9-14H,2-8,15H2,1H3/b10-9+ |
| InChIKey | PTJQZPBXJDRGFY-MDZDMXLPSA-N |
| Molecular Weight | 353.300 g/mol |
| SMILES | C1=C(C=CC(=C1)C(=O)OC\C=C\CCCCCCCC)Br |