| SpectraBase Compound ID | 9dlgVWJKnRK |
|---|---|
| InChI | InChI=1S/C9H9ClO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8,11H,3-4H2 |
| InChIKey | CTDYKWYKIBZVPN-UHFFFAOYSA-N |
| Mol Weight | 184.62 g/mol |
| Molecular Formula | C9H9ClO2 |
| Exact Mass | 184.029107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EIwgmeb4l4l |
|---|---|
| Name | 7-Chlorochroman-4-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.029107228 u |
| Formula | C9H9ClO2 |
| InChI | InChI=1S/C9H9ClO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8,11H,3-4H2 |
| InChIKey | CTDYKWYKIBZVPN-UHFFFAOYSA-N |
| Molecular Weight | 184.622 g/mol |
| SMILES | C12=C(C=C(C=C2)Cl)OCCC1O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962968 |