| SpectraBase Compound ID | FzNNBrsFynG |
|---|---|
| InChI | InChI=1S/C13H16BrNO3/c1-2-18-13(17)9-5-8-12(16)15-11-7-4-3-6-10(11)14/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,16) |
| InChIKey | SYGUIOVDNZFGAB-UHFFFAOYSA-N |
| Mol Weight | 314.18 g/mol |
| Molecular Formula | C13H16BrNO3 |
| Exact Mass | 313.031356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cvf22521W6I |
|---|---|
| Name | Glutaric acid, monoamide, N-(2-bromophenyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.031356376 u |
| Formula | C13H16BrNO3 |
| InChI | InChI=1S/C13H16BrNO3/c1-2-18-13(17)9-5-8-12(16)15-11-7-4-3-6-10(11)14/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,16) |
| InChIKey | SYGUIOVDNZFGAB-UHFFFAOYSA-N |
| Molecular Weight | 314.179 g/mol |
| SMILES | C1=CC=C(NC(CCCC(OCC)=O)=O)C(=C1)Br |