| SpectraBase Compound ID | IXgev6sNI2z |
|---|---|
| InChI | InChI=1S/C10H9ClO2/c1-5-4-8(13)10-7(12)3-2-6(11)9(5)10/h2-3,5,12H,4H2,1H3 |
| InChIKey | PPSMMWMVIIYEON-UHFFFAOYSA-N |
| Mol Weight | 196.63 g/mol |
| Molecular Formula | C10H9ClO2 |
| Exact Mass | 196.029107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2CRMy9afmZm |
|---|---|
| Name | 4-Chloro-7-hydroxy-3-methyl-1-indanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.029107228 u |
| Formula | C10H9ClO2 |
| InChI | InChI=1S/C10H9ClO2/c1-5-4-8(13)10-7(12)3-2-6(11)9(5)10/h2-3,5,12H,4H2,1H3 |
| InChIKey | PPSMMWMVIIYEON-UHFFFAOYSA-N |
| Molecular Weight | 196.633 g/mol |
| SMILES | C1(Cl)=C2C(=C(C=C1)O)C(=O)CC2C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947775 |