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1-(2-Chlorobenzyl)-2-methyl-3-(1-phenyl-1-propen-1-yl)-1H-indole I

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1-(2-Chlorobenzyl)-2-methyl-3-(1-phenyl-1-propen-1-yl)-1H-indole I
SpectraBase Compound ID 5tWmXXCLXxk
InChI InChI=1S/C25H22ClN/c1-3-21(19-11-5-4-6-12-19)25-18(2)27(24-16-10-8-14-22(24)25)17-20-13-7-9-15-23(20)26/h3-16H,17H2,1-2H3/b21-3+
InChIKey XDQQHEDRBXVMPR-WSVFEZOKSA-N
Mol Weight 371.91 g/mol
Molecular Formula C25H22ClN
Exact Mass 371.144077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4SKLjv6pmih
Name 1-(2-Chlorobenzyl)-2-methyl-3-(1-phenyl-1-propen-1-yl)-1H-indole I
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.144077412 u
Formula C25H22ClN
InChI InChI=1S/C25H22ClN/c1-3-21(19-11-5-4-6-12-19)25-18(2)27(24-16-10-8-14-22(24)25)17-20-13-7-9-15-23(20)26/h3-16H,17H2,1-2H3/b21-3+
InChIKey XDQQHEDRBXVMPR-WSVFEZOKSA-N
Molecular Weight 371.911 g/mol
SMILES C=1(C=2C(N(C1C)CC1=C(C=CC=C1)Cl)=CC=CC2)\C(C=1C=CC=CC1)=C\C