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1-((5-(2-(1H-Indol-1-yl)ethyl)-1-(4-chlorophenyl)-1H-pyrazol-3-yl)methyl)-1H-indole
SpectraBase Compound ID CM2RHc8WWCZ
InChI InChI=1S/C28H23ClN4/c29-23-9-11-25(12-10-23)33-26(15-18-31-16-13-21-5-1-3-7-27(21)31)19-24(30-33)20-32-17-14-22-6-2-4-8-28(22)32/h1-14,16-17,19H,15,18,20H2
InChIKey AHEUWUANVJBNOW-UHFFFAOYSA-N
Mol Weight 450.97 g/mol
Molecular Formula C28H23ClN4
Exact Mass 450.161124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BcVEoxU45aQ
Name 1-((5-(2-(1H-Indol-1-yl)ethyl)-1-(4-chlorophenyl)-1H-pyrazol-3-yl)methyl)-1H-indole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.161124457 u
Formula C28H23ClN4
InChI InChI=1S/C28H23ClN4/c29-23-9-11-25(12-10-23)33-26(15-18-31-16-13-21-5-1-3-7-27(21)31)19-24(30-33)20-32-17-14-22-6-2-4-8-28(22)32/h1-14,16-17,19H,15,18,20H2
InChIKey AHEUWUANVJBNOW-UHFFFAOYSA-N
Molecular Weight 450.973 g/mol
SMILES C1=C(N(N=C1CN1C=CC2=C1C=CC=C2)C1=CC=C(C=C1)Cl)CCN1C=CC2=C1C=CC=C2