| SpectraBase Compound ID | 5yyv57uuUkO |
|---|---|
| InChI | InChI=1S/C11H7BrO3/c1-6(13)9-4-7-2-3-8(12)5-10(7)15-11(9)14/h2-5H,1H3 |
| InChIKey | SSYBUBRVVKSXGP-UHFFFAOYSA-N |
| Mol Weight | 267.08 g/mol |
| Molecular Formula | C11H7BrO3 |
| Exact Mass | 265.957857 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4pgqY0EY8A8 |
|---|---|
| Name | 2H-1-Benzopyran-2-one, 3-acetyl-7-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.957857082 u |
| Formula | C11H7BrO3 |
| InChI | InChI=1S/C11H7BrO3/c1-6(13)9-4-7-2-3-8(12)5-10(7)15-11(9)14/h2-5H,1H3 |
| InChIKey | SSYBUBRVVKSXGP-UHFFFAOYSA-N |
| SMILES | C=1(C(OC=2C(C1)=CC=C(C2)Br)=O)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905482 |