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1-(2-Chlorobenzyl)-2-methyl-3-(4-propylbenzoyl)indole

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

1-(2-Chlorobenzyl)-2-methyl-3-(4-propylbenzoyl)indole
SpectraBase Compound ID D0Rws6zgvE3
InChI InChI=1S/C26H24ClNO/c1-3-8-19-13-15-20(16-14-19)26(29)25-18(2)28(24-12-7-5-10-22(24)25)17-21-9-4-6-11-23(21)27/h4-7,9-16H,3,8,17H2,1-2H3
InChIKey OVUSEQMEVDJOMR-UHFFFAOYSA-N
Mol Weight 401.94 g/mol
Molecular Formula C26H24ClNO
Exact Mass 401.154642 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HVYqo3tNMCW
Name 1-(2-Chlorobenzyl)-2-methyl-3-(4-propylbenzoyl)indole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.154642096 u
Formula C26H24ClNO
InChI InChI=1S/C26H24ClNO/c1-3-8-19-13-15-20(16-14-19)26(29)25-18(2)28(24-12-7-5-10-22(24)25)17-21-9-4-6-11-23(21)27/h4-7,9-16H,3,8,17H2,1-2H3
InChIKey OVUSEQMEVDJOMR-UHFFFAOYSA-N
Molecular Weight 401.937 g/mol
SMILES C=1(C=2C(N(C1C)CC1=C(C=CC=C1)Cl)=CC=CC2)C(C1=CC=C(C=C1)CCC)=O