| SpectraBase Compound ID | Fk6E2PcNCgV |
|---|---|
| InChI | InChI=1S/C11H9BrO2/c1-7-4-11(13)14-10-5-8(6-12)2-3-9(7)10/h2-5H,6H2,1H3 |
| InChIKey | GPAMBIISWCDPIY-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 | 7QNTtgvk5BV |
|---|---|
| Name | Coumarine, 7-bromomethyl-4-methyl- |
| 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/c1-7-4-11(13)14-10-5-8(6-12)2-3-9(7)10/h2-5H,6H2,1H3 |
| InChIKey | GPAMBIISWCDPIY-UHFFFAOYSA-N |
| Molecular Weight | 253.095 g/mol |
| SMILES | C1=2OC(=O)C=C(C2C=CC(CBr)=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937362 |