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Ethyl 4-hydroxy-3-nitro-2-(p-nitrophenyl)-5-(triphenylphosphoranylidene)-cyclopenta-1,3-diene-1-carboxylate
SpectraBase Compound ID 6PsUqwj7XUl
InChI InChI=1S/C32H25N2O7P/c1-2-41-32(36)28-27(22-18-20-23(21-19-22)33(37)38)29(34(39)40)30(35)31(28)42(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21,35H,2H2,1H3
InChIKey CAAJLOHGMXHZJI-UHFFFAOYSA-N
Mol Weight 580.5 g/mol
Molecular Formula C32H25N2O7P
Exact Mass 580.139938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yLtC1JO5o
Name Ethyl 4-hydroxy-3-nitro-2-(p-nitrophenyl)-5-(triphenylphosphoranylidene)-cyclopenta-1,3-diene-1-carboxylate
Alternate Name(s) Ethyl 4-hydroxy-3-nitro-2-(4-nitrophenyl)-5-(triphenylphosphoranylidene)-1,3-cyclopentadiene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H25N2O7P
InChI InChI=1S/C32H25N2O7P/c1-2-41-32(36)28-27(22-18-20-23(21-19-22)33(37)38)29(34(39)40)30(35)31(28)42(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21,35H,2H2,1H3
InChIKey CAAJLOHGMXHZJI-UHFFFAOYSA-N
Molecular Weight 580.533 g/mol
SMILES OC1=C(C(=C(C(=O)OCC)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(N(=O)=O)cc1)N(=O)=O
SPLASH splash10-01u0-1490000000-119ff81264497cac2159
Source of Spectrum C-88-307-1
Wiley ID 1590168