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4-(Tetrahydropyrimidinyl)-5-(4-methoxyphenyl)-1,3-diphenylpyrazole

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4-(Tetrahydropyrimidinyl)-5-(4-methoxyphenyl)-1,3-diphenylpyrazole
SpectraBase Compound ID CPBHkUnI0nw
InChI InChI=1S/C26H24N4O/c1-31-22-15-13-20(14-16-22)25-23(26-27-17-8-18-28-26)24(19-9-4-2-5-10-19)29-30(25)21-11-6-3-7-12-21/h2-7,9-16H,8,17-18H2,1H3,(H,27,28)
InChIKey WKVWFJVFJKDPEO-UHFFFAOYSA-N
Mol Weight 408.51 g/mol
Molecular Formula C26H24N4O
Exact Mass 408.195011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A40m6ELwIOn
Name 4-(Tetrahydropyrimidinyl)-5-(4-methoxyphenyl)-1,3-diphenylpyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.195011408 u
Formula C26H24N4O
InChI InChI=1S/C26H24N4O/c1-31-22-15-13-20(14-16-22)25-23(26-27-17-8-18-28-26)24(19-9-4-2-5-10-19)29-30(25)21-11-6-3-7-12-21/h2-7,9-16H,8,17-18H2,1H3,(H,27,28)
InChIKey WKVWFJVFJKDPEO-UHFFFAOYSA-N
Molecular Weight 408.505 g/mol
SMILES C1(=C(N(C2=CC=CC=C2)N=C1C=1C=CC=CC1)C1=CC=C(C=C1)OC)C1=NCCCN1