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2-((2-(2,3-Dimethylbut-1-en-1-yl)phenyl)ethynyl)-1-methyl-1H-indole
SpectraBase Compound ID CxAj9cntrzM
InChI InChI=1S/C23H23N/c1-17(2)18(3)15-20-10-6-5-9-19(20)13-14-22-16-21-11-7-8-12-23(21)24(22)4/h5-12,15-17H,1-4H3
InChIKey DCHLIFAGJBGLCU-UHFFFAOYSA-N
Mol Weight 313.44 g/mol
Molecular Formula C23H23N
Exact Mass 313.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVnbCwzR9fN
Name 2-((2-(2,3-Dimethylbut-1-en-1-yl)phenyl)ethynyl)-1-methyl-1H-indole
Appearance Colorless oil
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Exact Mass 313.183049745 u
Formula C23H23N
GC Column HP-5MS
InChI InChI=1S/C23H23N/c1-17(2)18(3)15-20-10-6-5-9-19(20)13-14-22-16-21-11-7-8-12-23(21)24(22)4/h5-12,15-17H,1-4H3
InChIKey DCHLIFAGJBGLCU-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405789
SMILES C1=CC=CC(=C1C=C(C(C)C)C)C#CC1=CC2=C(N1C)C=CC=C2
SPLASH splash10-08mi-0095000000-e9b5749928d5f5369463
Sample Comments Major isomer, dr = ~3:1
Source of Spectrum QE-21-SM11-6v (DOI: 10.1002/chem.201405789)
Thin-Layer Chromatography 0.15 (hexane)
Wiley ID 1907724