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Dimethyl 5-Butyl-6-(dimethylamino)-4-[(4-phenylsulfonyl)amino]pyridine-2,3-dicarboxylate
SpectraBase Compound ID AjRHfk709Bg
InChI InChI=1S/C21H27N3O6S/c1-6-7-13-15-17(23-31(27,28)14-11-9-8-10-12-14)16(20(25)29-4)18(21(26)30-5)22-19(15)24(2)3/h8-12H,6-7,13H2,1-5H3,(H,22,23)
InChIKey LPIUUJLKWFRMTK-UHFFFAOYSA-N
Mol Weight 449.52 g/mol
Molecular Formula C21H27N3O6S
Exact Mass 449.162057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKx2h5sdBu4
Name Dimethyl 5-Butyl-6-(dimethylamino)-4-[(4-phenylsulfonyl)amino]pyridine-2,3-dicarboxylate
Alternate Name(s) Dimethyl 5-butyl-6-(dimethylamino)-4-(phenylsulfonamido)pyridine-2,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27N3O6S
InChI InChI=1S/C21H27N3O6S/c1-6-7-13-15-17(23-31(27,28)14-11-9-8-10-12-14)16(20(25)29-4)18(21(26)30-5)22-19(15)24(2)3/h8-12H,6-7,13H2,1-5H3,(H,22,23)
InChIKey LPIUUJLKWFRMTK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201400255
Molecular Weight 449.522 g/mol
SMILES N(c1c(C(OC)=O)c(nc(N(C)C)c1CCCC)C(=O)OC)S(=O)(c1ccccc1)=O
SPLASH splash10-002f-5910000000-eac76e5021357e6394c7
Source of Spectrum H-98-537-6e
Wiley ID 1786321