| SpectraBase Compound ID | 2qKrsnOB1Yh |
|---|---|
| InChI | InChI=1S/C10H9BrO4/c1-6(13)15-10-4-8(11)7(5-12)3-9(10)14-2/h3-5H,1-2H3 |
| InChIKey | XDMGEKUQVOHMGM-UHFFFAOYSA-N |
| Mol Weight | 273.08 g/mol |
| Molecular Formula | C10H9BrO4 |
| Exact Mass | 271.968422 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4NSiRacWMJa |
|---|---|
| Name | 6-Bromovanillin, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.968421766 u |
| Formula | C10H9BrO4 |
| InChI | InChI=1S/C10H9BrO4/c1-6(13)15-10-4-8(11)7(5-12)3-9(10)14-2/h3-5H,1-2H3 |
| InChIKey | XDMGEKUQVOHMGM-UHFFFAOYSA-N |
| SMILES | C(C=1C(Br)=CC(=C(C1)OC)OC(C)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.940398 |