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2,6-Bis(N-cytisinomethyl)-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic Acid Diethyl Ester
SpectraBase Compound ID ArBaBtTxpuU
InChI InChI=1S/C41H47N5O6/c1-3-51-40(49)38-31(24-43-18-26-16-29(22-43)33-12-8-14-35(47)45(33)20-26)42-32(39(41(50)52-4-2)37(38)28-10-6-5-7-11-28)25-44-19-27-17-30(23-44)34-13-9-15-36(48)46(34)21-27/h5-15,26-27,29-30,37,42H,3-4,16-25H2,1-2H3
InChIKey REVLNVASBNRPMS-UHFFFAOYSA-N
Mol Weight 705.9 g/mol
Molecular Formula C41H47N5O6
Exact Mass 705.352634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXUrofmdnDO
Name 2,6-Bis(N-cytisinomethyl)-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic Acid Diethyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H47N5O6
InChI InChI=1S/C41H47N5O6/c1-3-51-40(49)38-31(24-43-18-26-16-29(22-43)33-12-8-14-35(47)45(33)20-26)42-32(39(41(50)52-4-2)37(38)28-10-6-5-7-11-28)25-44-19-27-17-30(23-44)34-13-9-15-36(48)46(34)21-27/h5-15,26-27,29-30,37,42H,3-4,16-25H2,1-2H3
InChIKey REVLNVASBNRPMS-UHFFFAOYSA-N
Molecular Weight 705.856 g/mol
SMILES N1C(=C(C(C(=C1CN1CC2C=3N(C(C=CC3)=O)CC(C1)C2)C(=O)OCC)c1ccccc1)C(=O)OCC)CN1CC2C=3N(C(C=CC3)=O)CC(C1)C2
SPLASH splash10-0007-9601000000-a57cfa8a2e335ad69d39
Source of Spectrum HC-46-842-2
Synonyms Diethyl 2,6-bis((8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
Wiley ID 1739411