| SpectraBase Compound ID | IAm9YMqq8Cu |
|---|---|
| InChI | InChI=1S/C9H9BrO3/c1-12-7-2-4-8(5-3-7)13-9(11)6-10/h2-5H,6H2,1H3 |
| InChIKey | CWPDVNAECGVQQI-UHFFFAOYSA-N |
| Mol Weight | 245.07 g/mol |
| Molecular Formula | C9H9BrO3 |
| Exact Mass | 243.973507 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3sF7SLBZgTY |
|---|---|
| Name | Bromoacetic acid, 4-methoxyphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.973507147 u |
| Formula | C9H9BrO3 |
| InChI | InChI=1S/C9H9BrO3/c1-12-7-2-4-8(5-3-7)13-9(11)6-10/h2-5H,6H2,1H3 |
| InChIKey | CWPDVNAECGVQQI-UHFFFAOYSA-N |
| Molecular Weight | 245.072 g/mol |
| SMILES | COC1=CC=C(OC(CBr)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903791 |