![N-[N-(alpha-Bromohydrocinnamoyl)glycyl]glycine](/api/spectrum/CNoCXwxsORm/structure.png?h=300&w=458 "N-[N-(alpha-Bromohydrocinnamoyl)glycyl]glycine")
| SpectraBase Compound ID | 9Q98UF167Yf |
|---|---|
| InChI | InChI=1S/C13H15BrN2O4/c14-10(6-9-4-2-1-3-5-9)13(20)16-7-11(17)15-8-12(18)19/h1-5,10H,6-8H2,(H,15,17)(H,16,20)(H,18,19) |
| InChIKey | KGZGCOYYSCUGIW-UHFFFAOYSA-N |
| Mol Weight | 343.18 g/mol |
| Molecular Formula | C13H15BrN2O4 |
| Exact Mass | 342.02152 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CNoCXwxsORm |
|---|---|
| Name | N-[N-(alpha-Bromohydrocinnamoyl)glycyl]glycine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.021519967 u |
| Formula | C13H15BrN2O4 |
| InChI | InChI=1S/C13H15BrN2O4/c14-10(6-9-4-2-1-3-5-9)13(20)16-7-11(17)15-8-12(18)19/h1-5,10H,6-8H2,(H,15,17)(H,16,20)(H,18,19) |
| InChIKey | KGZGCOYYSCUGIW-UHFFFAOYSA-N |
| SMILES | N(C(CNC(C(CC=1C=CC=CC1)Br)=O)=O)CC(O)=O |