| SpectraBase Compound ID | IDA9Ql2oZ82 |
|---|---|
| InChI | InChI=1S/C11H9BrO2/c1-7-9(6-12)11(13)8-4-2-3-5-10(8)14-7/h2-5H,6H2,1H3 |
| InChIKey | BOZCWQSUGDKXSS-UHFFFAOYSA-N |
| Mol Weight | 253.09 g/mol |
| Molecular Formula | C11H9BrO2 |
| Exact Mass | 251.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7v4XNUH53jt |
|---|---|
| Name | Chromone, 2-methyl-3-bromomethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.978592528 u |
| Formula | C11H9BrO2 |
| InChI | InChI=1S/C11H9BrO2/c1-7-9(6-12)11(13)8-4-2-3-5-10(8)14-7/h2-5H,6H2,1H3 |
| InChIKey | BOZCWQSUGDKXSS-UHFFFAOYSA-N |
| Molecular Weight | 253.095 g/mol |
| SMILES | C12=C(OC(=C(C2=O)CBr)C)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969306 |