| SpectraBase Compound ID | BO5GAirPhTY |
|---|---|
| InChI | InChI=1S/C13H14BrNO3/c1-2-9-18-13(17)8-7-12(16)15-11-6-4-3-5-10(11)14/h3-8H,2,9H2,1H3,(H,15,16)/b8-7+ |
| InChIKey | APJGQAMEKRIZOD-BQYQJAHWSA-N |
| Mol Weight | 312.16 g/mol |
| Molecular Formula | C13H14BrNO3 |
| Exact Mass | 311.015706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8SeoBbrOKvX |
|---|---|
| Name | Fumaric monoamide, N-(2-bromophenyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.015706312 u |
| Formula | C13H14BrNO3 |
| InChI | InChI=1S/C13H14BrNO3/c1-2-9-18-13(17)8-7-12(16)15-11-6-4-3-5-10(11)14/h3-8H,2,9H2,1H3,(H,15,16)/b8-7+ |
| InChIKey | APJGQAMEKRIZOD-BQYQJAHWSA-N |
| Molecular Weight | 312.163 g/mol |
| SMILES | C1(=C(C=CC=C1)Br)NC(\C=C\C(OCCC)=O)=O |