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Methyl 2,2-difluorobenzo[D][1,3]dioxole-5-carboxylate

View entire compound with spectra: 1 FTIR

Methyl 2,2-difluorobenzo[D][1,3]dioxole-5-carboxylate
SpectraBase Compound ID 38ftksRy3RJ
InChI InChI=1S/C9H6F2O4/c1-13-8(12)5-2-3-6-7(4-5)15-9(10,11)14-6/h2-4H,1H3
InChIKey MYEOSTSAKCEVAS-UHFFFAOYSA-N
Mol Weight 216.14 g/mol
Molecular Formula C9H6F2O4
Exact Mass 216.023415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JaqQDK0tcVs
Name Methyl 2,2-difluorobenzo[D][1,3]dioxole-5-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.023414995 u
Formula C9H6F2O4
InChI InChI=1S/C9H6F2O4/c1-13-8(12)5-2-3-6-7(4-5)15-9(10,11)14-6/h2-4H,1H3
InChIKey MYEOSTSAKCEVAS-UHFFFAOYSA-N
Molecular Weight 216.140 g/mol
SMILES C1(F)(OC2=C(O1)C=CC(=C2)C(=O)OC)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942378