| SpectraBase Compound ID | JfdqrozoGAN |
|---|---|
| InChI | InChI=1S/C10H11BrO3/c1-13-8-5-3-7(4-6-8)9(11)10(12)14-2/h3-6,9H,1-2H3 |
| InChIKey | YICYREKXXVXWCS-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 | J27t0Mtxa0j |
|---|---|
| Name | Methyl 2-bromo-2-(4-methoxyphenyl)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/c1-13-8-5-3-7(4-6-8)9(11)10(12)14-2/h3-6,9H,1-2H3 |
| InChIKey | YICYREKXXVXWCS-UHFFFAOYSA-N |
| Molecular Weight | 259.099 g/mol |
| SMILES | C=1C=C(C(C(=O)OC)Br)C=CC1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.870247 |