| SpectraBase Compound ID | 5nGnYqTfx79 |
|---|---|
| InChI | InChI=1S/C10H11BrO3/c1-7(12)14-6-8-3-4-9(11)5-10(8)13-2/h3-5H,6H2,1-2H3 |
| InChIKey | NGVWHXOHHSLNAB-UHFFFAOYSA-N |
| Mol Weight | 259.1 g/mol |
| Molecular Formula | C10H11BrO3 |
| Exact Mass | 257.989157 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5rRZumZYgd7 |
|---|---|
| Name | 4-Bromo-2-methoxybenzyl alcohol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.989157211 u |
| Formula | C10H11BrO3 |
| InChI | InChI=1S/C10H11BrO3/c1-7(12)14-6-8-3-4-9(11)5-10(8)13-2/h3-5H,6H2,1-2H3 |
| InChIKey | NGVWHXOHHSLNAB-UHFFFAOYSA-N |
| SMILES | C1(=C(C=C(C=C1)Br)OC)COC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877295 |