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2-[(p-FLUOROPHENYL)CARBAMOYL]-alpha,alpha,3,5-TETRAMETHYLHYDROCINNAMIC ACID

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

2-[(p-FLUOROPHENYL)CARBAMOYL]-alpha,alpha,3,5-TETRAMETHYLHYDROCINNAMIC ACID
SpectraBase Compound ID CLvellYh7Yk
InChI InChI=1S/C20H22FNO3/c1-12-9-13(2)17(14(10-12)11-20(3,4)19(24)25)18(23)22-16-7-5-15(21)6-8-16/h5-10H,11H2,1-4H3,(H,22,23)(H,24,25)
InChIKey LAGGDHRNOLQNON-UHFFFAOYSA-N
Mol Weight 343.4 g/mol
Molecular Formula C20H22FNO3
Exact Mass 343.158372 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6EP8ZTURC0Z
Name 2-[(p-Fluorophenyl)carbamoyl]-A,A,3,5-tetramethylhydrocinnamic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.158371732 u
Formula C20H22FNO3
InChI InChI=1S/C20H22FNO3/c1-12-9-13(2)17(14(10-12)11-20(3,4)19(24)25)18(23)22-16-7-5-15(21)6-8-16/h5-10H,11H2,1-4H3,(H,22,23)(H,24,25)
InChIKey LAGGDHRNOLQNON-UHFFFAOYSA-N
Molecular Weight 343.398 g/mol
SMILES N(C(C=1C(CC(C(O)=O)(C)C)=CC(=CC1C)C)=O)C=1C=CC(=CC1)F
Spectrum/Structure Validation Score (Raman) 0.938793