| SpectraBase Compound ID | KsPvbB40T2z |
|---|---|
| InChI | InChI=1S/C11H9BrO3/c1-14-11(13)8-4-7-5-9(12)2-3-10(7)15-6-8/h2-5H,6H2,1H3 |
| InChIKey | CEULXKZILRCRET-UHFFFAOYSA-N |
| Mol Weight | 269.09 g/mol |
| Molecular Formula | C11H9BrO3 |
| Exact Mass | 267.973507 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5B0jw21SsKP |
|---|---|
| Name | Methyl 6-bromo-2H-1-benzopyran-3-carboxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.973507147 u |
| Formula | C11H9BrO3 |
| InChI | InChI=1S/C11H9BrO3/c1-14-11(13)8-4-7-5-9(12)2-3-10(7)15-6-8/h2-5H,6H2,1H3 |
| InChIKey | CEULXKZILRCRET-UHFFFAOYSA-N |
| SMILES | C1(=CC2=CC(Br)=CC=C2OC1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885906 |