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

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

1-Hexyl-2-methyl-3-(4-propylbenzoyl)indole
SpectraBase Compound ID I9emuRWMHRl
InChI InChI=1S/C25H31NO/c1-4-6-7-10-18-26-19(3)24(22-12-8-9-13-23(22)26)25(27)21-16-14-20(11-5-2)15-17-21/h8-9,12-17H,4-7,10-11,18H2,1-3H3
InChIKey LKDUDGVSYOFVDW-UHFFFAOYSA-N
Mol Weight 361.53 g/mol
Molecular Formula C25H31NO
Exact Mass 361.240565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3S5ylqFdiUc
Name 1-Hexyl-2-methyl-3-(4-propylbenzoyl)indole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.240564621 u
Formula C25H31NO
InChI InChI=1S/C25H31NO/c1-4-6-7-10-18-26-19(3)24(22-12-8-9-13-23(22)26)25(27)21-16-14-20(11-5-2)15-17-21/h8-9,12-17H,4-7,10-11,18H2,1-3H3
InChIKey LKDUDGVSYOFVDW-UHFFFAOYSA-N
Molecular Weight 361.529 g/mol
SMILES C=1(C=2C(N(C1C)CCCCCC)=CC=CC2)C(C1=CC=C(C=C1)CCC)=O