| SpectraBase Compound ID | 5yRu3C8kIVR |
|---|---|
| InChI | InChI=1S/C14H11BrN2O3/c15-12-9-16-13(17-10-12)20-14(18)19-8-4-7-11-5-2-1-3-6-11/h1-7,9-10H,8H2/b7-4+ |
| InChIKey | FSVPWGCEPGXFLI-QPJJXVBHSA-N |
| Mol Weight | 335.16 g/mol |
| Molecular Formula | C14H11BrN2O3 |
| Exact Mass | 333.995305 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3YhoK9Le9VS |
|---|---|
| Name | (E)-5-Bromo-2-pyrimidinyl-3-phenyl-2-propenyl carbonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.995305219 u |
| Formula | C14H11BrN2O3 |
| InChI | InChI=1S/C14H11BrN2O3/c15-12-9-16-13(17-10-12)20-14(18)19-8-4-7-11-5-2-1-3-6-11/h1-7,9-10H,8H2/b7-4+ |
| InChIKey | FSVPWGCEPGXFLI-QPJJXVBHSA-N |
| Molecular Weight | 335.157 g/mol |
| SMILES | C1(OC(=O)OC\C=C\C2=CC=CC=C2)=NC=C(C=N1)Br |