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N-[1-(4-fluorobenzyl)-1H-pyrazol-3-yl]-9H-xanthene-9-carboxamide

View entire compound with spectra: 2 NMR

N-[1-(4-fluorobenzyl)-1H-pyrazol-3-yl]-9H-xanthene-9-carboxamide
SpectraBase Compound ID AESDjhpHFeO
InChI InChI=1S/C24H18FN3O2/c25-17-11-9-16(10-12-17)15-28-14-13-22(27-28)26-24(29)23-18-5-1-3-7-20(18)30-21-8-4-2-6-19(21)23/h1-14,23H,15H2,(H,26,27,29)
InChIKey MBDXDBUOSTXGGJ-UHFFFAOYSA-N
Mol Weight 399.43 g/mol
Molecular Formula C24H18FN3O2
Exact Mass 399.138305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1PWFbHpuje6
Name N-[1-(4-Fluorobenzyl)-1H-pyrazol-3-yl]-9H-xanthene-9-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.138304993 u
Formula C24H18FN3O2
InChI InChI=1S/C24H18FN3O2/c25-17-11-9-16(10-12-17)15-28-14-13-22(27-28)26-24(29)23-18-5-1-3-7-20(18)30-21-8-4-2-6-19(21)23/h1-14,23H,15H2,(H,26,27,29)
InChIKey MBDXDBUOSTXGGJ-UHFFFAOYSA-N
Molecular Weight 399.425 g/mol
SMILES N(C1=NN(C=C1)CC1=CC=C(F)C=C1)C(C1C2=C(C=CC=C2)OC2=C1C=CC=C2)=O