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Thymol, 2,4-difluorocarbanilate

View entire compound with spectra: 3 NMR, 1 FTIR, 1 Raman, and 1 MS (GC)

Thymol, 2,4-difluorocarbanilate
SpectraBase Compound ID Eu44WOh770O
InChI InChI=1S/C17H17F2NO2/c1-10(2)13-6-4-11(3)8-16(13)22-17(21)20-15-7-5-12(18)9-14(15)19/h4-10H,1-3H3,(H,20,21)
InChIKey WZLVRWGSLWJJMP-UHFFFAOYSA-N
Mol Weight 305.32 g/mol
Molecular Formula C17H17F2NO2
Exact Mass 305.122735 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GPxoAFOiXki
Name Thymol, 2,4-difluorocarbanilate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.122735115 u
Formula C17H17F2NO2
InChI InChI=1S/C17H17F2NO2/c1-10(2)13-6-4-11(3)8-16(13)22-17(21)20-15-7-5-12(18)9-14(15)19/h4-10H,1-3H3,(H,20,21)
InChIKey WZLVRWGSLWJJMP-UHFFFAOYSA-N
Molecular Weight 305.325 g/mol
SMILES N(C1=CC=C(C=C1F)F)C(OC=1C=C(C=CC1C(C)C)C)=O
Spectrum/Structure Validation Score (Raman) 0.733397