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2-Butenedioic acid, 2-[1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinyl]-, dimethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Butenedioic acid, 2-[1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinyl]-, dimethyl ester
SpectraBase Compound ID AcBpdzNFYdy
InChI InChI=1S/C30H28N3O6P/c1-32-27(26(28(35)33(2)30(32)37)24(29(36)39-4)20-25(34)38-3)31-40(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20H,1-4H3/b24-20-
InChIKey YAHFJTYLPQMRAS-GFMRDNFCSA-N
Mol Weight 557.54 g/mol
Molecular Formula C30H28N3O6P
Exact Mass 557.171573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AEPh6suXFF9
Name 2-Butenedioic acid, 2-[1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinyl]-, dimethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 557.171572626 u
Formula C30H28N3O6P
InChI InChI=1S/C30H28N3O6P/c1-32-27(26(28(35)33(2)30(32)37)24(29(36)39-4)20-25(34)38-3)31-40(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20H,1-4H3/b24-20-
InChIKey YAHFJTYLPQMRAS-GFMRDNFCSA-N
Molecular Weight 557.543 g/mol
SMILES C1(=C(N(C)C(N(C1=O)C)=O)N=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)\C(=C\C(=O)OC)C(=O)OC