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2-Butenedioic acid, 2-[1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinyl]-, diethyl ester
SpectraBase Compound ID 5wzlpmgROSo
InChI InChI=1S/C32H32N3O6P/c1-5-40-27(36)22-26(31(38)41-6-2)28-29(34(3)32(39)35(4)30(28)37)33-42(23-16-10-7-11-17-23,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-22H,5-6H2,1-4H3/b26-22-
InChIKey ZNYIZPPECSUJJA-ROMGYVFFSA-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 LHrykv3qV2z
Name 2-Butenedioic acid, 2-[1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinyl]-, diethyl ester
CAS Registry Number 99747-61-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H32N3O6P
InChI InChI=1S/C32H32N3O6P/c1-5-40-27(36)22-26(31(38)41-6-2)28-29(34(3)32(39)35(4)30(28)37)33-42(23-16-10-7-11-17-23,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-22H,5-6H2,1-4H3/b26-22-
InChIKey ZNYIZPPECSUJJA-ROMGYVFFSA-N
Molecular Weight 585.597 g/mol
SMILES C1(=C(N(C)C(N(C1=O)C)=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)\C(=C\C(=O)OCC)C(=O)OCC
SPLASH splash10-01p9-0070090000-8e3c840dfab051fb21a2
Source of Spectrum J-51-154-10
Synonyms diethyl (2Z)-2-{1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-1,2,3,4-tetrahydro-5-pyrimidinyl}-2-butenedioate Diethyl[1,3-dimethyl-2,4-dioxo-6-((triphenylphosphoranylidene)amino]pyrimidin-5-yl]fumarate
Wiley ID 1408961