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dof 4-Toluoyl

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

dof 4-Toluoyl
SpectraBase Compound ID C12AEI8w2IT
InChI InChI=1S/C19H22FNO3/c1-12-5-7-14(8-6-12)19(22)21-13(2)9-15-10-18(24-4)16(20)11-17(15)23-3/h5-8,10-11,13H,9H2,1-4H3,(H,21,22)
InChIKey WHSAIPOJOIGISM-UHFFFAOYSA-N
Mol Weight 331.39 g/mol
Molecular Formula C19H22FNO3
Exact Mass 331.158372 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GEKojmXrYOL
Name dof 4-Toluoyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.158371732 u
Formula C19H22FNO3
InChI InChI=1S/C19H22FNO3/c1-12-5-7-14(8-6-12)19(22)21-13(2)9-15-10-18(24-4)16(20)11-17(15)23-3/h5-8,10-11,13H,9H2,1-4H3,(H,21,22)
InChIKey WHSAIPOJOIGISM-UHFFFAOYSA-N
Molecular Weight 331.387 g/mol
SMILES C1(=C(C=C(C(=C1)OC)F)OC)CC(NC(C=1C=CC(=CC1)C)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939976