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3-[1-(benzenesulfonyl)-5-(3-methoxyphenyl)-3-indolyl]-N,N-dimethyl-2-propyn-1-amine
SpectraBase Compound ID 4yRegzOnzah
InChI InChI=1S/C26H24N2O3S/c1-27(2)16-8-10-22-19-28(32(29,30)24-12-5-4-6-13-24)26-15-14-21(18-25(22)26)20-9-7-11-23(17-20)31-3/h4-7,9,11-15,17-19H,16H2,1-3H3
InChIKey QUYGOOVSUQELGN-UHFFFAOYSA-N
Mol Weight 444.55 g/mol
Molecular Formula C26H24N2O3S
Exact Mass 444.150764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsqLrdXI6gF
Name 3-[1-(benzenesulfonyl)-5-(3-methoxyphenyl)-3-indolyl]-N,N-dimethyl-2-propyn-1-amine
Alternate Name(s) 3-[1-(benzenesulfonyl)-5-(3-methoxyphenyl)indol-3-yl]-N,N-dimethyl-prop-2-yn-1-amine 3-[1-besyl-5-(3-methoxyphenyl)indol-3-yl]prop-2-ynyl-dimethyl-amine 3-[5-(3-methoxyphenyl)-1-(phenylsulfonyl)indol-3-yl]-N,N-dimethyl-prop-2-yn-1-amine
Comments Edited after expert review for DOP contamination - Original record with SpectrumID 1618257 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24N2O3S
InChI InChI=1S/C26H24N2O3S/c1-27(2)16-8-10-22-19-28(32(29,30)24-12-5-4-6-13-24)26-15-14-21(18-25(22)26)20-9-7-11-23(17-20)31-3/h4-7,9,11-15,17-19H,16H2,1-3H3
InChIKey QUYGOOVSUQELGN-UHFFFAOYSA-N
Molecular Weight 444.549 g/mol
SMILES CN(C)CC#Cc1c[n](c2c1cc(cc2)-c1cc(ccc1)OC)S(=O)(=O)c1ccccc1
SPLASH splash10-03e9-3890000000-f67857049b26576b388f
Source of Spectrum C5-2005-778-9
Wiley ID 1821479