| SpectraBase Compound ID | H0cAWi7aC07 |
|---|---|
| InChI | InChI=1S/C11H13BrO3/c1-14-10-5-3-8(7-9(10)12)4-6-11(13)15-2/h3,5,7H,4,6H2,1-2H3 |
| InChIKey | CJFIDTZFPOVCCE-UHFFFAOYSA-N |
| Mol Weight | 273.13 g/mol |
| Molecular Formula | C11H13BrO3 |
| Exact Mass | 272.004807 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7R0fRXSs3dn |
|---|---|
| Name | 3-(3-Bromo-4-methoxyphenyl)propanoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.004807276 u |
| Formula | C11H13BrO3 |
| InChI | InChI=1S/C11H13BrO3/c1-14-10-5-3-8(7-9(10)12)4-6-11(13)15-2/h3,5,7H,4,6H2,1-2H3 |
| InChIKey | CJFIDTZFPOVCCE-UHFFFAOYSA-N |
| SMILES | C1(Br)=C(C=CC(=C1)CCC(=O)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963149 |