| SpectraBase Compound ID | Fp63BWNBcXl |
|---|---|
| InChI | InChI=1S/C9H6F2O/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3H,1,4H2 |
| InChIKey | KMWBFTTYYGUTNW-UHFFFAOYSA-N |
| Mol Weight | 168.14 g/mol |
| Molecular Formula | C9H6F2O |
| Exact Mass | 168.038671 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CSYLgjkywf2 |
|---|---|
| Name | 1H-Inden-1-one, 4,7-difluoro-2,3-dihydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.038671138 u |
| Formula | C9H6F2O |
| InChI | InChI=1S/C9H6F2O/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3H,1,4H2 |
| InChIKey | KMWBFTTYYGUTNW-UHFFFAOYSA-N |
| Molecular Weight | 168.143 g/mol |
| SMILES | C1(F)=C2C(=O)CCC2=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.859133 |