| SpectraBase Compound ID | KG5EhkdT3Pc |
|---|---|
| InChI | InChI=1S/C8H8BrNO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,10H2,1H3 |
| InChIKey | OFDWPQOLEQDJIX-UHFFFAOYSA-N |
| Mol Weight | 230.06 g/mol |
| Molecular Formula | C8H8BrNO2 |
| Exact Mass | 228.973841 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ebpo1cmjwpt |
|---|---|
| Name | 5-Amino-2-bromobenzoic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.973841500 u |
| Formula | C8H8BrNO2 |
| InChI | InChI=1S/C8H8BrNO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,10H2,1H3 |
| InChIKey | OFDWPQOLEQDJIX-UHFFFAOYSA-N |
| Molecular Weight | 230.061 g/mol |
| SMILES | NC1=CC(=C(C=C1)Br)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.914943 |