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4'-Propyl-4-biphenylcarboxylic acid, 2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl

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

4'-Propyl-4-biphenylcarboxylic acid, 2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl
SpectraBase Compound ID bRgIisiiWs
InChI InChI=1S/C23H18F3NO4/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)22(28)31-21-13-12-19(23(24,25)26)14-20(21)27(29)30/h4-14H,2-3H2,1H3
InChIKey OFFWTRKXPTZBDA-UHFFFAOYSA-N
Mol Weight 429.4 g/mol
Molecular Formula C23H18F3NO4
Exact Mass 429.118793 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IjkYW7NFs8p
Name 4'-Propyl-4-biphenylcarboxylic acid, 2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.118792549 u
Formula C23H18F3NO4
InChI InChI=1S/C23H18F3NO4/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)22(28)31-21-13-12-19(23(24,25)26)14-20(21)27(29)30/h4-14H,2-3H2,1H3
InChIKey OFFWTRKXPTZBDA-UHFFFAOYSA-N
Molecular Weight 429.395 g/mol
SMILES C(F)(F)(F)C1=CC=C(C(=C1)N(=O)=O)OC(C1=CC=C(C=C1)C=1C=CC(=CC1)CCC)=O