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Methyl 4-hydroxy-3-nitro-2-(p-nitrophenyl)-5-(triphenylphosphoranylidene)-cyclopenta-1,3-diene-1-carboxylate
SpectraBase Compound ID 7qYlZYIPdwx
InChI InChI=1S/C31H23N2O7P/c1-40-31(35)27-26(21-17-19-22(20-18-21)32(36)37)28(33(38)39)29(34)30(27)41(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20,34H,1H3
InChIKey ACWBICRDUHFPLV-UHFFFAOYSA-N
Mol Weight 566.51 g/mol
Molecular Formula C31H23N2O7P
Exact Mass 566.124288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56bf51Uwf3j
Name Methyl 4-hydroxy-3-nitro-2-(p-nitrophenyl)-5-(triphenylphosphoranylidene)-cyclopenta-1,3-diene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H23N2O7P
InChI InChI=1S/C31H23N2O7P/c1-40-31(35)27-26(21-17-19-22(20-18-21)32(36)37)28(33(38)39)29(34)30(27)41(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20,34H,1H3
InChIKey ACWBICRDUHFPLV-UHFFFAOYSA-N
Molecular Weight 566.506 g/mol
SMILES OC1=C(C(=C(C(=O)OC)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(N(=O)=O)cc1)N(=O)=O
SPLASH splash10-004i-1590000000-49b35fa835deb25657d2
Source of Spectrum C-88-307-1
Synonyms Methyl 4-hydroxy-3-nitro-2-(4-nitrophenyl)-5-(triphenylphosphoranylidene)-1,3-cyclopentadiene-1-carboxylate 4-Hydroxy-3-nitro-2-(4-nitrophenyl)-5-triphenylphosphoranylidene-1-cyclopenta-1,3-dienecarboxylic acid methyl ester Methyl 4-hydroxy-3-nitro-2-(4-nitrophenyl)-5-(triphenyl-$l^{5}-phosphanylidene)cyclopenta-1,3-diene-1-carboxylate Methyl 3-nitro-2-(4-nitrophenyl)-4-oxidanyl-5-(triphenyl-$l^{5}-phosphanylidene)cyclopenta-1,3-diene-1-carboxylate
Wiley ID 1590169