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3-[1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1-methylprop-2-ynyl]-1-methyl-1H-indole
SpectraBase Compound ID F6mNovsTCkB
InChI InChI=1S/C26H22ClNO/c1-26(20-10-12-21(27)13-11-20,17-16-19-8-14-22(29-3)15-9-19)24-18-28(2)25-7-5-4-6-23(24)25/h4-15,18H,1-3H3
InChIKey SNZPIIXWBILBSA-UHFFFAOYSA-N
Mol Weight 399.92 g/mol
Molecular Formula C26H22ClNO
Exact Mass 399.138992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IY9nkt0Z039
Name 3-[1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1-methylprop-2-ynyl]-1-methyl-1H-indole
Appearance Pale yellow solid
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Formula C26H22ClNO
InChI InChI=1S/C26H22ClNO/c1-26(20-10-12-21(27)13-11-20,17-16-19-8-14-22(29-3)15-9-19)24-18-28(2)25-7-5-4-6-23(24)25/h4-15,18H,1-3H3
InChIKey SNZPIIXWBILBSA-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.7.89
Molecular Weight 399.921 g/mol
Reported Formula C26H22ClNO
SMILES c1ccc2[n](cc(C(C#Cc3ccc(cc3)OC)(c3ccc(cc3)Cl)C)c2c1)C
SPLASH splash10-001j-0009000000-8eb5b0ed4d25e4494bd5
Source of Spectrum BJO-7-SM3-1g
Thin-Layer Chromatography Rf = 0.11 (hexane/AcOEt, 20:1)
Wiley ID 1867238