| SpectraBase Compound ID | 1gt0IuxFx6g |
|---|---|
| InChI | InChI=1S/C9H7ClO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8H,5H2 |
| InChIKey | BZGQPEGJOZKLFK-UHFFFAOYSA-N |
| Mol Weight | 166.61 g/mol |
| Molecular Formula | C9H7ClO |
| Exact Mass | 166.018543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dy2jUGO99dR |
|---|---|
| Name | 2-Chloro-2,3-dihydro-1H-inden-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.018542544 u |
| Formula | C9H7ClO |
| InChI | InChI=1S/C9H7ClO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8H,5H2 |
| InChIKey | BZGQPEGJOZKLFK-UHFFFAOYSA-N |
| Molecular Weight | 166.607 g/mol |
| SMILES | C1(Cl)C(C2=C(C1)C=CC=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922651 |