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1,2-Dimethyl-3-(4-phenyldec-5-yn-4-yl)-1H-indole

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

1,2-Dimethyl-3-(4-phenyldec-5-yn-4-yl)-1H-indole
SpectraBase Compound ID 4uEQ6uwAtVP
InChI InChI=1S/C26H31N/c1-5-7-8-14-20-26(19-6-2,22-15-10-9-11-16-22)25-21(3)27(4)24-18-13-12-17-23(24)25/h9-13,15-18H,5-8,19H2,1-4H3
InChIKey AMRMONJKTRWUSI-UHFFFAOYSA-N
Mol Weight 357.54 g/mol
Molecular Formula C26H31N
Exact Mass 357.24565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lRhaBXnCVX
Name 1,2-Dimethyl-3-(4-phenyldec-5-yn-4-yl)-1H-indole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.245650002 u
Formula C26H31N
InChI InChI=1S/C26H31N/c1-5-7-8-14-20-26(19-6-2,22-15-10-9-11-16-22)25-21(3)27(4)24-18-13-12-17-23(24)25/h9-13,15-18H,5-8,19H2,1-4H3
InChIKey AMRMONJKTRWUSI-UHFFFAOYSA-N
Molecular Weight 357.541 g/mol
SMILES C1(=C(N(C)C2=C1C=CC=C2)C)C(C#CCCCC)(C=1C=CC=CC1)CCC