| SpectraBase Compound ID | L61J0qpfND0 |
|---|---|
| InChI | InChI=1S/C9H9ClO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2 |
| InChIKey | KPQIWYXPCLLEIJ-UHFFFAOYSA-N |
| Mol Weight | 168.62 g/mol |
| Molecular Formula | C9H9ClO |
| Exact Mass | 168.034193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L7xzv97i4AW |
|---|---|
| Name | 6-Chlorochroman |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.034192609 u |
| Formula | C9H9ClO |
| InChI | InChI=1S/C9H9ClO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2 |
| InChIKey | KPQIWYXPCLLEIJ-UHFFFAOYSA-N |
| SMILES | C12=C(OCCC2)C=CC(=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92667 |