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1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylic acid, 2-(4-(diphenylmethyl)-1-piperazinyl]ethyl methyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylic acid, 2-(4-(diphenylmethyl)-1-piperazinyl]ethyl methyl ester
SpectraBase Compound ID FhCywAkdYMl
InChI InChI=1S/C35H38N4O6.2ClH/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27;;/h4-16,23,32-33,36H,17-22H2,1-3H3;2*1H
InChIKey JINNGBXKBDUGQT-UHFFFAOYSA-N
Mol Weight 683.6 g/mol
Molecular Formula C35H40Cl2N4O6
Exact Mass 682.23249 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1yvvB6Vwatf
Name 1,4-DIHYDRO-2,6-DIMETHYL-4-(m-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLIC ACID, 2-[4-(DIPHENYLMETHYL)-1-PIPERAZINYL]ETHYL METHYL ESTER, DIHYDROCHLORIDE
Source of Sample K. Meguro, Takeda Chemical Industries, Ltd., Osaka, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H40Cl2N4O6
InChI InChI=1S/C35H38N4O6.2ClH/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27;;/h4-16,23,32-33,36H,17-22H2,1-3H3;2*1H
InChIKey JINNGBXKBDUGQT-UHFFFAOYSA-N
Literature Reference CHEM. PHARM. BULL., TOKYO 33, 3787(1985) Abstract-Chemical Abstracts= 105, 133842J(1986)
Melting Point 204-206C (dec.)
Molecular Weight 683.627014
Synonyms 3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DI- HYDRO-2,6-DIMETHYL-4-/M-NITROPHENYL/-, 2-/4-/DIPHENYLMETHYL/-1-PIPERAZINYL/- ETHYL METHYL ESTER
Technique KBr WAFER