| SpectraBase Compound ID | 48NbVmm9G8R |
|---|---|
| InChI | InChI=1S/C10H8F2O/c11-10(12)6-5-7-3-1-2-4-8(7)9(10)13/h1-4H,5-6H2 |
| InChIKey | KBYBCCGRBLSHHE-UHFFFAOYSA-N |
| Mol Weight | 182.17 g/mol |
| Molecular Formula | C10H8F2O |
| Exact Mass | 182.054321 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E4qpBKK8t2p |
|---|---|
| Name | 2,2-Difluoro-3,4-dihydro-2H-naphthalen-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.054321203 u |
| Formula | C10H8F2O |
| InChI | InChI=1S/C10H8F2O/c11-10(12)6-5-7-3-1-2-4-8(7)9(10)13/h1-4H,5-6H2 |
| InChIKey | KBYBCCGRBLSHHE-UHFFFAOYSA-N |
| Molecular Weight | 182.170 g/mol |
| SMILES | C1(C(CCC=2C=CC=CC12)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851909 |