SpectraBase Compound ID | FDsoSwCWgu7 |
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InChI | InChI=1S/C7H11FO/c8-6-4-2-1-3-5-7(6)9/h6H,1-5H2/t6-/m1/s1 |
InChIKey | NRNLUXWVGFXALA-ZCFIWIBFSA-N |
Mol Weight | 130.16 g/mol |
Molecular Formula | C7H11FO |
Exact Mass | 130.079393 g/mol |
SpectraBase Spectrum ID | FAQ35QDjXXE |
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Name | (2R)-2-Fluoranylcycloheptan-1-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 130.079393136 u |
Formula | C7H11FO |
InChI | InChI=1S/C7H11FO/c8-6-4-2-1-3-5-7(6)9/h6H,1-5H2/t6-/m1/s1 |
InChIKey | NRNLUXWVGFXALA-ZCFIWIBFSA-N |
Molecular Weight | 130.162 g/mol |
SMILES | C1(=O)[C@](F)(CCCCC1)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967118 |