| SpectraBase Compound ID | 91lXExuTszh |
|---|---|
| InChI | InChI=1S/C16H10BrFO4/c17-11-5-7-12(8-6-11)21-15(19)9-10-16(20)22-14-4-2-1-3-13(14)18/h1-10H/b10-9+ |
| InChIKey | PBNWQAHQQRKUNI-MDZDMXLPSA-N |
| Mol Weight | 365.15 g/mol |
| Molecular Formula | C16H10BrFO4 |
| Exact Mass | 363.97465 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 | BMbuMgcuuYQ |
|---|---|
| Name | Fumaric acid, 4-bromophenyl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.974649961 u |
| Formula | C16H10BrFO4 |
| InChI | InChI=1S/C16H10BrFO4/c17-11-5-7-12(8-6-11)21-15(19)9-10-16(20)22-14-4-2-1-3-13(14)18/h1-10H/b10-9+ |
| InChIKey | PBNWQAHQQRKUNI-MDZDMXLPSA-N |
| Molecular Weight | 365.154 g/mol |
| SMILES | C(\C=C\C(OC1=CC=CC=C1F)=O)(OC1=CC=C(C=C1)Br)=O |