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Nicotinamide, N-(5-methyl-2-naphthalen-1-ylmethyl-2H-pyrazol-3-yl)-

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

Nicotinamide, N-(5-methyl-2-naphthalen-1-ylmethyl-2H-pyrazol-3-yl)-
SpectraBase Compound ID BBA17i1rTD
InChI InChI=1S/C21H18N4O/c1-15-12-20(23-21(26)17-9-5-11-22-13-17)25(24-15)14-18-8-4-7-16-6-2-3-10-19(16)18/h2-13H,14H2,1H3,(H,23,26)
InChIKey YBEMALJUUCNJDV-UHFFFAOYSA-N
Mol Weight 342.4 g/mol
Molecular Formula C21H18N4O
Exact Mass 342.148061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 86FULiVa0Xu
Name Nicotinamide, N-(5-methyl-2-naphthalen-1-ylmethyl-2H-pyrazol-3-yl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.148061215 u
Formula C21H18N4O
InChI InChI=1S/C21H18N4O/c1-15-12-20(23-21(26)17-9-5-11-22-13-17)25(24-15)14-18-8-4-7-16-6-2-3-10-19(16)18/h2-13H,14H2,1H3,(H,23,26)
InChIKey YBEMALJUUCNJDV-UHFFFAOYSA-N
Molecular Weight 342.402 g/mol
SMILES C12=C(CN3C(=CC(=N3)C)NC(C3=CC=CN=C3)=O)C=CC=C2C=CC=C1