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5-Iodo-1-hexyl-3-(1-naphthoyl)-1H-indole

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

5-Iodo-1-hexyl-3-(1-naphthoyl)-1H-indole
SpectraBase Compound ID 9Ow7D74kBad
InChI InChI=1S/C25H24INO/c1-2-3-4-7-15-27-17-23(22-16-19(26)13-14-24(22)27)25(28)21-12-8-10-18-9-5-6-11-20(18)21/h5-6,8-14,16-17H,2-4,7,15H2,1H3
InChIKey CAVQRJVXOJMQKS-UHFFFAOYSA-N
Mol Weight 481.38 g/mol
Molecular Formula C25H24INO
Exact Mass 481.090259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IJkAffU6JKg
Name 5-Iodo-1-hexyl-3-(1-naphthoyl)-1H-indole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.090259396 u
Formula C25H24INO
InChI InChI=1S/C25H24INO/c1-2-3-4-7-15-27-17-23(22-16-19(26)13-14-24(22)27)25(28)21-12-8-10-18-9-5-6-11-20(18)21/h5-6,8-14,16-17H,2-4,7,15H2,1H3
InChIKey CAVQRJVXOJMQKS-UHFFFAOYSA-N
Molecular Weight 481.377 g/mol
SMILES C=1(C=2C(N(C1)CCCCCC)=CC=C(C2)I)C(C=1C2=C(C=CC1)C=CC=C2)=O