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4-Allyl-2,3,5,6-tetrafluorobenzoic acid

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4-Allyl-2,3,5,6-tetrafluorobenzoic acid
SpectraBase Compound ID 3PUQlVSZqt3
InChI InChI=1S/C10H6F4O2/c1-2-3-4-6(11)8(13)5(10(15)16)9(14)7(4)12/h2H,1,3H2,(H,15,16)
InChIKey INABVTWXXDFTOB-UHFFFAOYSA-N
Mol Weight 234.15 g/mol
Molecular Formula C10H6F4O2
Exact Mass 234.030392 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1Att6okDM8E
Name 4-Allyl-2,3,5,6-tetrafluorobenzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.030392083 u
Formula C10H6F4O2
InChI InChI=1S/C10H6F4O2/c1-2-3-4-6(11)8(13)5(10(15)16)9(14)7(4)12/h2H,1,3H2,(H,15,16)
InChIKey INABVTWXXDFTOB-UHFFFAOYSA-N
Molecular Weight 234.150 g/mol
SMILES C(C1=C(C(=C(C(=C1F)F)CC=C)F)F)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902303