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7,7-Difluorobicyclo[3.2.0]heptan-2-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

7,7-Difluorobicyclo[3.2.0]heptan-2-one
SpectraBase Compound ID Dz4YbB2BbWh
InChI InChI=1S/C9H12O3/c1-12-9(11)6-4-5-2-3-7(10)8(5)6/h5-6,8H,2-4H2,1H3/t5?,6-,8?/m1/s1
InChIKey WPAODFNHYFZBGZ-NAJVVJGSSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KOLG4ScUORO
Name 7,7-Difluorobicyclo[3.2.0]heptan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.078644243 u
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-12-9(11)6-4-5-2-3-7(10)8(5)6/h5-6,8H,2-4H2,1H3/t5?,6-,8?/m1/s1
InChIKey WPAODFNHYFZBGZ-NAJVVJGSSA-N
Molecular Weight 168.192 g/mol
SMILES [C@]1(C2C(CCC2C1)=O)(C(=O)OC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.807162