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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJErVlSkH7c
Name 1,3-Dimethyl-5-(2-nitroethenyl)-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-1,2,3,4-tetrahydropyrimidine
Alternate Name(s) 1,3-Dimethyl-5-[(E)-2-nitroethenyl]-6-[(triphenylphosphoranylidene)amino]-2,4(1H,3H)-pyrimidinedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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(c1ccccc1)(c1ccccc1)c1ccccc1)\C=C\N(=O)=O)=O)C)=O
SPLASH splash10-053u-0900300000-2bb0b0e5e88ace5a5799
Source of Spectrum SO-0-474-3
Wiley ID 1541454