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6-Amino-5-tosyl-4-(2,3,4-trimethoxyphenyl)nicotinonitrile
SpectraBase Compound ID ymXNif5dAm
InChI InChI=1S/C22H21N3O5S/c1-13-5-7-15(8-6-13)31(26,27)21-18(14(11-23)12-25-22(21)24)16-9-10-17(28-2)20(30-4)19(16)29-3/h5-10,12H,1-4H3,(H2,24,25)
InChIKey UDALHXAFVBVPDD-UHFFFAOYSA-N
Mol Weight 439.49 g/mol
Molecular Formula C22H21N3O5S
Exact Mass 439.120192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Qo3jw2xfwM
Name 6-Amino-5-tosyl-4-(2,3,4-trimethoxyphenyl)nicotinonitrile
Alternate Name(s) 6-Amino-5-(4-methylphenyl)sulfonyl-4-(2,3,4-trimethoxyphenyl)-3-pyridinecarbonitrile 6-Amino-5-(4-methylphenyl)sulfonyl-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile 6-Amino-5-(p-tolylsulfonyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile 6-Azanyl-5-(4-methylphenyl)sulfonyl-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O5S
InChI InChI=1S/C22H21N3O5S/c1-13-5-7-15(8-6-13)31(26,27)21-18(14(11-23)12-25-22(21)24)16-9-10-17(28-2)20(30-4)19(16)29-3/h5-10,12H,1-4H3,(H2,24,25)
InChIKey UDALHXAFVBVPDD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201100335
Molecular Weight 439.486 g/mol
SMILES Nc1c(c(c(C#N)cn1)-c1c(c(c(cc1)OC)OC)OC)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-00p0-4279100000-4739c2575eb96af96f95
Source of Spectrum APC-345-382-3a
Wiley ID 1769367