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1,3-Dimethyl-5-(2-nitroethenyl)-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-1,2,3,4-tetrahydropyrimidine
SpectraBase Compound ID 2q3uqRoHMhY
InChI InChI=1S/C26H23N4O4P/c1-28-24(23(18-19-30(33)34)25(31)29(2)26(28)32)27-35(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3/b19-18+
InChIKey IAARAUNNQBKJMQ-VHEBQXMUSA-N
Mol Weight 486.47 g/mol
Molecular Formula C26H23N4O4P
Exact Mass 486.145692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JV2rhqRbyf9
Name 1,3-Dimethyl-5-(2-nitroethenyl)-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-1,2,3,4-tetrahydropyrimidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.145692231 u
Formula C26H23N4O4P
InChI InChI=1S/C26H23N4O4P/c1-28-24(23(18-19-30(33)34)25(31)29(2)26(28)32)27-35(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3/b19-18+
InChIKey IAARAUNNQBKJMQ-VHEBQXMUSA-N
Molecular Weight 486.468 g/mol
SMILES C1(N(C(C(=C(N1C)N=P(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)\C=C\N(=O)=O)=O)C)=O