| SpectraBase Compound ID | 1mmj4AxwdGi |
|---|---|
| InChI | InChI=1S/C13H14BrNO3/c1-9(2)18-13(17)8-7-12(16)15-11-6-4-3-5-10(11)14/h3-9H,1-2H3,(H,15,16)/b8-7+ |
| InChIKey | SAKFWXOMFJZLLW-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 | G9W0V70MzAK |
|---|---|
| Name | Fumaric acid, monoamide, N-(2-bromophenyl)-, isopropyl 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/c1-9(2)18-13(17)8-7-12(16)15-11-6-4-3-5-10(11)14/h3-9H,1-2H3,(H,15,16)/b8-7+ |
| InChIKey | SAKFWXOMFJZLLW-BQYQJAHWSA-N |
| Molecular Weight | 312.163 g/mol |
| SMILES | C1=CC=C(C(=C1)Br)NC(\C=C\C(=O)OC(C)C)=O |