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3,4-Pyridinedicarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-5-[(methylamino)[(triphenylphosphoranylidene)amino]methylene]-2,6-dioxo-, diethyl ester
SpectraBase Compound ID 921oRUy5jnC
InChI InChI=1S/C32H32N3O6P/c1-5-40-31(38)25-26(29(36)35(4)30(37)27(25)32(39)41-6-2)28(33-3)34-42(22-16-10-7-11-17-22,23-18-12-8-13-19-23)24-20-14-9-15-21-24/h7-21,33H,5-6H2,1-4H3/b28-26+
InChIKey RSQMZONQGYOYGT-BYCLXTJYSA-N
Mol Weight 585.6 g/mol
Molecular Formula C32H32N3O6P
Exact Mass 585.202873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7on1rcI4oFt
Name 3,4-Pyridinedicarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-5-[(methylamino)[(triphenylphosphoranylidene)amino]methylene]-2,6-dioxo-, diethyl ester
Alternate Name(s) 4,5-Diethoxycarbonyl-N-methyl-3-[(N-methylamino)(n-triphenylphosphoranylidene)amino)methylene]pyridine-2,6-dione diethyl (5E)-1-methyl-5-{(methylamino)[(triphenylphosphoranylidene)amino]methylene}-2,6-dioxo-1,2,5,6-tetrahydro-3,4-pyridinedicarboxylate
CAS Registry Number 99747-57-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H32N3O6P
InChI InChI=1S/C32H32N3O6P/c1-5-40-31(38)25-26(29(36)35(4)30(37)27(25)32(39)41-6-2)28(33-3)34-42(22-16-10-7-11-17-22,23-18-12-8-13-19-23)24-20-14-9-15-21-24/h7-21,33H,5-6H2,1-4H3/b28-26+
InChIKey RSQMZONQGYOYGT-BYCLXTJYSA-N
Molecular Weight 585.597 g/mol
SMILES N(\C(=C\1C(=C(C(=O)OCC)C(N(C1=O)C)=O)C(=O)OCC)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C
SPLASH splash10-000i-0000090000-49b4c00712b54eed3eae
Source of Spectrum J-51-153-12
Wiley ID 1408960