| SpectraBase Compound ID | 3ltrjGpTWQV |
|---|---|
| InChI | InChI=1S/C14H15BrO4/c1-2-9-18-13(16)7-8-14(17)19-10-11-3-5-12(15)6-4-11/h3-8H,2,9-10H2,1H3/b8-7+ |
| InChIKey | JPCBTEUKMMBUES-BQYQJAHWSA-N |
| Mol Weight | 327.17 g/mol |
| Molecular Formula | C14H15BrO4 |
| Exact Mass | 326.015372 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 | GQjoHaPJZtq |
|---|---|
| Name | Fumaric acid, 4-bromobenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.015371959 u |
| Formula | C14H15BrO4 |
| InChI | InChI=1S/C14H15BrO4/c1-2-9-18-13(16)7-8-14(17)19-10-11-3-5-12(15)6-4-11/h3-8H,2,9-10H2,1H3/b8-7+ |
| InChIKey | JPCBTEUKMMBUES-BQYQJAHWSA-N |
| Molecular Weight | 327.174 g/mol |
| SMILES | C(\C=C\C(OCC1=CC=C(C=C1)Br)=O)(OCCC)=O |