| SpectraBase Compound ID | FlgCcd44hmA |
|---|---|
| InChI | InChI=1S/C11H9ClO2/c1-6-10(12)8-4-3-7(14-2)5-9(8)11(6)13/h3-5H,1-2H3 |
| InChIKey | PFFQXKURIPCKNU-UHFFFAOYSA-N |
| Mol Weight | 208.64 g/mol |
| Molecular Formula | C11H9ClO2 |
| Exact Mass | 208.029107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2v037G6mLLL |
|---|---|
| Name | 1H-Inden-1-one, 3-chloro-6-methoxy-2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.029107228 u |
| Formula | C11H9ClO2 |
| InChI | InChI=1S/C11H9ClO2/c1-6-10(12)8-4-3-7(14-2)5-9(8)11(6)13/h3-5H,1-2H3 |
| InChIKey | PFFQXKURIPCKNU-UHFFFAOYSA-N |
| Molecular Weight | 208.644 g/mol |
| SMILES | C1(=C(C=2C=CC(=CC2C1=O)OC)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948602 |