| SpectraBase Compound ID | EKo7EuGLlnS |
|---|---|
| InChI | InChI=1S/C10H10BrClO/c11-6-9-3-1-7-5-8(12)2-4-10(7)13-9/h2,4-5,9H,1,3,6H2 |
| InChIKey | BZJFOESOYITEIE-UHFFFAOYSA-N |
| Mol Weight | 261.55 g/mol |
| Molecular Formula | C10H10BrClO |
| Exact Mass | 259.960356 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BaKKsCBZBUw |
|---|---|
| Name | (+)-6-chloro-2-bromomethyl-2,3-dihydro-4H-1-benzopyran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.960355641 u |
| Formula | C10H10BrClO |
| InChI | InChI=1S/C10H10BrClO/c11-6-9-3-1-7-5-8(12)2-4-10(7)13-9/h2,4-5,9H,1,3,6H2 |
| InChIKey | BZJFOESOYITEIE-UHFFFAOYSA-N |
| SMILES | C1(CCC=2C(O1)=CC=C(C2)Cl)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954885 |