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Methyl 4-hydroxy-3-nitro-2-phenyl-5-(triphenylphosphoranylidene)-cyclopenta-1,3-diene-1-carboxylate
SpectraBase Compound ID BNgYO0PUgUH
InChI InChI=1S/C31H24NO5P/c1-37-31(34)27-26(22-14-6-2-7-15-22)28(32(35)36)29(33)30(27)38(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21,33H,1H3
InChIKey JEJMHJMULMRIOB-UHFFFAOYSA-N
Mol Weight 521.51 g/mol
Molecular Formula C31H24NO5P
Exact Mass 521.13921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzdsvVF3qHm
Name Methyl 4-hydroxy-3-nitro-2-phenyl-5-(triphenylphosphoranylidene)-cyclopenta-1,3-diene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H24NO5P
InChI InChI=1S/C31H24NO5P/c1-37-31(34)27-26(22-14-6-2-7-15-22)28(32(35)36)29(33)30(27)38(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21,33H,1H3
InChIKey JEJMHJMULMRIOB-UHFFFAOYSA-N
Molecular Weight 521.509 g/mol
SMILES OC1=C(C(=C(C(=O)OC)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)N(=O)=O
SPLASH splash10-03gi-2690000000-f49f582c7322ea2b7a02
Source of Spectrum C-88-306-1
Synonyms Methyl 4-hydroxy-3-nitro-2-phenyl-5-(triphenylphosphoranylidene)-1,3-cyclopentadiene-1-carboxylate
Wiley ID 1590171