For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1H-pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID JFUBKGuHR85
InChI InChI=1S/C23H18ClF3N2O/c1-30-20-11-7-16(8-12-20)22-14-21(15-5-9-18(24)10-6-15)28-29(22)19-4-2-3-17(13-19)23(25,26)27/h2-13,22H,14H2,1H3
InChIKey OBNXIOQPIVMJTI-UHFFFAOYSA-N
Mol Weight 430.86 g/mol
Molecular Formula C23H18ClF3N2O
Exact Mass 430.105975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 65FzkLwddj1
Name 1H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.105975396 u
Formula C23H18ClF3N2O
InChI InChI=1S/C23H18ClF3N2O/c1-30-20-11-7-16(8-12-20)22-14-21(15-5-9-18(24)10-6-15)28-29(22)19-4-2-3-17(13-19)23(25,26)27/h2-13,22H,14H2,1H3
InChIKey OBNXIOQPIVMJTI-UHFFFAOYSA-N
Molecular Weight 430.858 g/mol
SMILES COC1=CC=C(C2N(N=C(C=3C=CC(=CC3)Cl)C2)C2=CC(C(F)(F)F)=CC=C2)C=C1