| SpectraBase Compound ID | 636P2wsMjQk |
|---|---|
| InChI | InChI=1S/C10H12BrNO3/c1-14-9-4-7(11)10(15-2)3-6(9)8(13)5-12/h3-4H,5,12H2,1-2H3 |
| InChIKey | HFYJGAIOBIDRPX-UHFFFAOYSA-N |
| Mol Weight | 274.11 g/mol |
| Molecular Formula | C10H12BrNO3 |
| Exact Mass | 273.000056 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GA2eWsccPCW |
|---|---|
| Name | bk-2-C-B |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.000056247 u |
| Formula | C10H12BrNO3 |
| InChI | InChI=1S/C10H12BrNO3/c1-14-9-4-7(11)10(15-2)3-6(9)8(13)5-12/h3-4H,5,12H2,1-2H3 |
| InChIKey | HFYJGAIOBIDRPX-UHFFFAOYSA-N |
| Molecular Weight | 274.114 g/mol |
| SMILES | NCC(C1=CC(=C(C=C1OC)Br)OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.918911 |