| SpectraBase Compound ID | DvuSniGpDp |
|---|---|
| InChI | InChI=1S/C15H18BrNO3/c1-2-3-6-11-20-15(19)10-9-14(18)17-13-8-5-4-7-12(13)16/h4-5,7-10H,2-3,6,11H2,1H3,(H,17,18)/b10-9+ |
| InChIKey | AIMCDJTYNLEVCI-MDZDMXLPSA-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 | Cjs1puBON8C |
|---|---|
| Name | Fumaric monoamide, N-(2-bromophenyl)-, pentyl 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/c1-2-3-6-11-20-15(19)10-9-14(18)17-13-8-5-4-7-12(13)16/h4-5,7-10H,2-3,6,11H2,1H3,(H,17,18)/b10-9+ |
| InChIKey | AIMCDJTYNLEVCI-MDZDMXLPSA-N |
| Molecular Weight | 340.217 g/mol |
| SMILES | CCCCCOC(\C=C\C(NC1=C(C=CC=C1)Br)=O)=O |