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(4-butyl-3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)methyl 4-chlorobenzoate
SpectraBase Compound ID D5vHWrTr7Gm
InChI InChI=1S/C27H25ClN2O4/c1-2-3-18-27(19-34-24(31)20-14-16-21(28)17-15-20)25(32)29(22-10-6-4-7-11-22)30(26(27)33)23-12-8-5-9-13-23/h4-17H,2-3,18-19H2,1H3
InChIKey OZKQTMYKYQGCME-UHFFFAOYSA-N
Mol Weight 476.96 g/mol
Molecular Formula C27H25ClN2O4
Exact Mass 476.150285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwLIWoulzeU
Name (4-butyl-3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)methyl 4-chlorobenzoate
CAS Registry Number 23111-34-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25ClN2O4
InChI InChI=1S/C27H25ClN2O4/c1-2-3-18-27(19-34-24(31)20-14-16-21(28)17-15-20)25(32)29(22-10-6-4-7-11-22)30(26(27)33)23-12-8-5-9-13-23/h4-17H,2-3,18-19H2,1H3
InChIKey OZKQTMYKYQGCME-UHFFFAOYSA-N
Molecular Weight 476.960 g/mol
SMILES CCCCC1(COC(c2ccc(cc2)Cl)=O)C(N(c2ccccc2)N(c2ccccc2)C1=O)=O
SPLASH splash10-01p9-1930100000-d029a3d5a43309d24572
Source of Spectrum CJ-0-46-0
Synonyms 4-Chlorobenzoic acid (4-butyl-3,5-diketo-1,2-diphenyl-pyrazolidin-4-yl)methyl ester 4-Chlorobenzoic acid (4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl ester Feclobuzon [4-butyl-3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]methyl 4-chloranylbenzoate
Wiley ID 1394327