SpectraBase Compound ID | BpsjdPJgk7x |
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InChI | InChI=1S/C10H8F2O/c11-10(12)5-7-3-1-2-4-8(7)9(13)6-10/h1-4H,5-6H2 |
InChIKey | BJOLWRYQKKNVSX-UHFFFAOYSA-N |
Mol Weight | 182.17 g/mol |
Molecular Formula | C10H8F2O |
Exact Mass | 182.054321 g/mol |
SpectraBase Spectrum ID | 1qkeN9JSU9M |
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Name | 2,2-Difluoro-4.alpha.-tetralone |
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)5-7-3-1-2-4-8(7)9(13)6-10/h1-4H,5-6H2 |
InChIKey | BJOLWRYQKKNVSX-UHFFFAOYSA-N |
Molecular Weight | 182.170 g/mol |
SMILES | C1(CC(F)(F)CC2=C1C=CC=C2)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891411 |