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N-2-methyl-3,5-dimethoxycarbonyl-4-(o-nitrophenyl)-1,4-dihydropyridinyl-6-methyl]pyridinium bromide
SpectraBase Compound ID HEFhILeWH5E
InChI InChI=1S/C22H22N3O6.BrH/c1-14-18(21(26)30-3)20(16-10-6-7-11-17(16)25(28)29)19(22(27)31-4)15(2)24(14)23-12-8-5-9-13-23;/h5-13,20H,1-4H3;1H/q+1;/p-1
InChIKey HXDCQSHBCZKOHI-UHFFFAOYSA-M
Mol Weight 504.34 g/mol
Molecular Formula C22H22BrN3O6
Exact Mass 503.069198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tHhfaze1oO
Name N-2-methyl-3,5-dimethoxycarbonyl-4-(o-nitrophenyl)-1,4-dihydropyridinyl-6-methyl]pyridinium bromide
Alternate Name(s) 1-(3,5-bis(methoxycarbonyl)-2,6-dimethyl-4-(2-nitrophenyl)-1(4H)-pyridinyl)pyridinium bromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22BrN3O6
InChI InChI=1S/C22H22N3O6.BrH/c1-14-18(21(26)30-3)20(16-10-6-7-11-17(16)25(28)29)19(22(27)31-4)15(2)24(14)23-12-8-5-9-13-23;/h5-13,20H,1-4H3;1H/q+1;/p-1
InChIKey HXDCQSHBCZKOHI-UHFFFAOYSA-M
Molecular Weight 504.337 g/mol
SMILES [Br-].C=1(C(C(=C(C)N(C1C)[n+]1ccccc1)C(=O)OC)c1c(N(=O)=O)cccc1)C(=O)OC
SPLASH splash10-0fiu-9080000000-e4aa41635f9cf07e053c
Source of Spectrum HC-23-982-0
Wiley ID 1399380