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3-[3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-indolyl]-N,N-dimethyl-2-propyn-1-amine
SpectraBase Compound ID Cmlq27LavFt
InChI InChI=1S/C27H26N2O3S/c1-20-10-13-24(14-11-20)33(30,31)29-19-26(22-8-5-9-23(18-22)32-4)25-17-21(12-15-27(25)29)7-6-16-28(2)3/h5,8-15,17-19H,16H2,1-4H3
InChIKey KPBZCKYUNDVEEB-UHFFFAOYSA-N
Mol Weight 458.58 g/mol
Molecular Formula C27H26N2O3S
Exact Mass 458.166414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aRDpopXJaF
Name 3-[3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-indolyl]-N,N-dimethyl-2-propyn-1-amine
Alternate Name(s) 3-[3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-indol-5-yl]-N,N-dimethyl-prop-2-yn-1-amine 3-[3-(3-methoxyphenyl)-1-(p-tolylsulfonyl)indol-5-yl]-N,N-dimethyl-prop-2-yn-1-amine 3-[3-(3-methoxyphenyl)-1-tosyl-indol-5-yl]prop-2-ynyl-dimethyl-amine
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Formula C27H26N2O3S
InChI InChI=1S/C27H26N2O3S/c1-20-10-13-24(14-11-20)33(30,31)29-19-26(22-8-5-9-23(18-22)32-4)25-17-21(12-15-27(25)29)7-6-16-28(2)3/h5,8-15,17-19H,16H2,1-4H3
InChIKey KPBZCKYUNDVEEB-UHFFFAOYSA-N
Molecular Weight 458.576 g/mol
SMILES CN(C)CC#Cc1cc2c(c[n](c2cc1)S(=O)(=O)c1ccc(cc1)C)-c1cc(ccc1)OC
SPLASH splash10-001i-9133200000-5d355d198da155b9b777
Source of Spectrum C5-2005-778-13
Wiley ID 1618252