| SpectraBase Compound ID | Lv4mI63fBB1 |
|---|---|
| InChI | InChI=1S/C15H18BrNO3/c1-15(2,3)10-20-14(19)9-8-13(18)17-12-7-5-4-6-11(12)16/h4-9H,10H2,1-3H3,(H,17,18)/b9-8+ |
| InChIKey | IIKYRXUQHOAFHV-CMDGGOBGSA-N |
| Mol Weight | 340.22 g/mol |
| Molecular Formula | C15H18BrNO3 |
| Exact Mass | 339.047006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HdaecxVSrmq |
|---|---|
| Name | Fumaric acid, monoamide, N-(2-bromophenyl)-, neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.047006441 u |
| Formula | C15H18BrNO3 |
| InChI | InChI=1S/C15H18BrNO3/c1-15(2,3)10-20-14(19)9-8-13(18)17-12-7-5-4-6-11(12)16/h4-9H,10H2,1-3H3,(H,17,18)/b9-8+ |
| InChIKey | IIKYRXUQHOAFHV-CMDGGOBGSA-N |
| Molecular Weight | 340.217 g/mol |
| SMILES | C1=CC=C(C(=C1)Br)NC(\C=C\C(=O)OCC(C)(C)C)=O |