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 |