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cis-Methyl 1-(difluoromethyl)cyclobutane-1,3-dicarboxylate
SpectraBase Compound ID F9e2ygRje1W
InChI InChI=1S/C9H12F2O4/c1-14-6(12)5-3-9(4-5,7(10)11)8(13)15-2/h5,7H,3-4H2,1-2H3
InChIKey YQTWLEMDXPOYSS-UHFFFAOYSA-N
Mol Weight 222.19 g/mol
Molecular Formula C9H12F2O4
Exact Mass 222.070365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IwrxUjsc5Ug
Name cis-Methyl 1-(difluoromethyl)cyclobutane-1,3-dicarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.070365188 u
Formula C9H12F2O4
InChI InChI=1S/C9H12F2O4/c1-14-6(12)5-3-9(4-5,7(10)11)8(13)15-2/h5,7H,3-4H2,1-2H3
InChIKey YQTWLEMDXPOYSS-UHFFFAOYSA-N
Molecular Weight 222.188 g/mol
SMILES C1(CC(C1)C(=O)OC)(C(=O)OC)C(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935834