| SpectraBase Compound ID | EPVBVEWzmr6 |
|---|---|
| InChI | InChI=1S/C5H8BrNO3/c1-2-10-5(9)3(6)4(7)8/h3H,2H2,1H3,(H2,7,8) |
| InChIKey | FEPNZIFFIUSWRS-UHFFFAOYSA-N |
| Mol Weight | 210.03 g/mol |
| Molecular Formula | C5H8BrNO3 |
| Exact Mass | 208.968756 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3OHCeco3cFC |
|---|---|
| Name | Propanoic acid, 3-amino-2-bromo-3-oxo-, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.968756119 u |
| Formula | C5H8BrNO3 |
| InChI | InChI=1S/C5H8BrNO3/c1-2-10-5(9)3(6)4(7)8/h3H,2H2,1H3,(H2,7,8) |
| InChIKey | FEPNZIFFIUSWRS-UHFFFAOYSA-N |
| Molecular Weight | 210.027 g/mol |
| SMILES | CCOC(=O)C(Br)C(N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983265 |