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2-Chloro-3,6-difluorocinnamic acid

View entire compound with spectra: 1 FTIR

2-Chloro-3,6-difluorocinnamic acid
SpectraBase Compound ID Gsjssvi7blq
InChI InChI=1S/C9H5ClF2O2/c10-9-5(1-4-8(13)14)6(11)2-3-7(9)12/h1-4H,(H,13,14)/b4-1+
InChIKey IHWVLAUNJHXFGN-DAFODLJHSA-N
Mol Weight 218.59 g/mol
Molecular Formula C9H5ClF2O2
Exact Mass 217.994613 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3ea3hHgv8Ii
Name 2-Chloro-3,6-difluorocinnamic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.994613425 u
Formula C9H5ClF2O2
InChI InChI=1S/C9H5ClF2O2/c10-9-5(1-4-8(13)14)6(11)2-3-7(9)12/h1-4H,(H,13,14)/b4-1+
InChIKey IHWVLAUNJHXFGN-DAFODLJHSA-N
Molecular Weight 218.587 g/mol
SMILES C(\C=C\C1=C(Cl)C(F)=CC=C1F)(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839434