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Methyl 2-(4-Chlorophenyl)-4-hydroxy-3-nitro-5-(triphenylphosphoranylidene)cyclopenta-l,3-diene-l-carboxylate

View entire compound with spectra: 2 MS (GC)

Methyl 2-(4-Chlorophenyl)-4-hydroxy-3-nitro-5-(triphenylphosphoranylidene)cyclopenta-l,3-diene-l-carboxylate
SpectraBase Compound ID CmfKr5bKXaH
InChI InChI=1S/C31H23ClNO5P/c1-38-31(35)27-26(21-17-19-22(32)20-18-21)28(33(36)37)29(34)30(27)39(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 KJORTWZYVLOPDB-UHFFFAOYSA-N
Mol Weight 555.95 g/mol
Molecular Formula C31H23ClNO5P
Exact Mass 555.100238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjIhZk1h6dc
Name Methyl 2-(4-Chlorophenyl)-4-hydroxy-3-nitro-5-(triphenylphosphoranylidene)cyclopenta-l,3-diene-l-carboxylate
Alternate Name(s) Methyl 2-(4-chlorophenyl)-4-hydroxy-3-nitro-5-(triphenyl-lambda5-phosphaneylidene)cyclopenta-1,3-diene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H23ClNO5P
InChI InChI=1S/C31H23ClNO5P/c1-38-31(35)27-26(21-17-19-22(32)20-18-21)28(33(36)37)29(34)30(27)39(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 KJORTWZYVLOPDB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200590012
Molecular Weight 555.954 g/mol
SMILES OC1=C([N+](=O)[O-])C(c2ccc(cc2)Cl)=C(C(=O)OC)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-01u0-5950000000-ee5a09a3c58f65dcc12e
Source of Spectrum H-88-307-1e
Wiley ID 1785616