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3-(3,7,11-Trimethyldodeca-2,6,10-trienyl)-1H-indole

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3-(3,7,11-Trimethyldodeca-2,6,10-trienyl)-1H-indole
SpectraBase Compound ID KiuUGjiP41S
InChI InChI=1S/C23H31N/c1-18(2)9-7-10-19(3)11-8-12-20(4)15-16-21-17-24-23-14-6-5-13-22(21)23/h5-6,9,11,13-15,17,24H,7-8,10,12,16H2,1-4H3/b19-11+,20-15+
InChIKey GIEWHHJZPKZOFH-NKFKFSAASA-N
Mol Weight 321.51 g/mol
Molecular Formula C23H31N
Exact Mass 321.24565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CEI6DAMKT1K
Name 3-(3,7,11-Trimethyldodeca-2,6,10-trienyl)-1H-indole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.245650002 u
Formula C23H31N
InChI InChI=1S/C23H31N/c1-18(2)9-7-10-19(3)11-8-12-20(4)15-16-21-17-24-23-14-6-5-13-22(21)23/h5-6,9,11,13-15,17,24H,7-8,10,12,16H2,1-4H3/b19-11+,20-15+
InChIKey GIEWHHJZPKZOFH-NKFKFSAASA-N
Molecular Weight 321.508 g/mol
SMILES C=1NC2=C(C1C\C=C\(CC\C=C\(CCC=C(C)C)C)C)C=CC=C2