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4-(2-Trimethylsilylethynyl)-1-tosyl-3-(2-nitroethenyl)indole
SpectraBase Compound ID EOhwcATjsfM
InChI InChI=1S/C22H22N2O4SSi/c1-17-8-10-20(11-9-17)29(27,28)23-16-19(12-14-24(25)26)22-18(6-5-7-21(22)23)13-15-30(2,3)4/h5-12,14,16H,1-4H3/b14-12+
InChIKey RQBDYLBTKPJDCH-WYMLVPIESA-N
Mol Weight 438.57 g/mol
Molecular Formula C22H22N2O4SSi
Exact Mass 438.106955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wK7bfribAV
Name 4-(2-Trimethylsilylethynyl)-1-tosyl-3-(2-nitroethenyl)indole
Alternate Name(s) 3-(Nitroethenyl)-4-[(trimethylsilyl)ethynyl]-1-(p-toluenesulfonyl)indole 1-[(4-methylphenyl)sulfonyl]-3-[(E)-2-nitroethenyl]-4-[(trimethylsilyl)ethynyl]-1H-indole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O4SSi
InChI InChI=1S/C22H22N2O4SSi/c1-17-8-10-20(11-9-17)29(27,28)23-16-19(12-14-24(25)26)22-18(6-5-7-21(22)23)13-15-30(2,3)4/h5-12,14,16H,1-4H3/b14-12+
InChIKey RQBDYLBTKPJDCH-WYMLVPIESA-N
Molecular Weight 438.573 g/mol
SMILES c1[n](c2cccc(c2c1\C=C\N(=O)=O)C#C[Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1
SPLASH splash10-000i-0003900000-858df9f383a763fe0196
Source of Spectrum H1-36-2243-3
Wiley ID 755656