| SpectraBase Compound ID | Au71gPlR3tD |
|---|---|
| InChI | InChI=1S/C14H15BrO4/c1-10(2)9-18-13(16)7-8-14(17)19-12-5-3-11(15)4-6-12/h3-8,10H,9H2,1-2H3/b8-7+ |
| InChIKey | XMADBBNAHWVWAC-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 | Gr6asJa6Nsq |
|---|---|
| Name | Fumaric acid, 4-bromophenyl isobutyl 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/c1-10(2)9-18-13(16)7-8-14(17)19-12-5-3-11(15)4-6-12/h3-8,10H,9H2,1-2H3/b8-7+ |
| InChIKey | XMADBBNAHWVWAC-BQYQJAHWSA-N |
| Molecular Weight | 327.174 g/mol |
| SMILES | C(\C=C\C(OC1=CC=C(C=C1)Br)=O)(OCC(C)C)=O |