4-Butyl-4-[1-(2,5-difluorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]-1,2-diphenyl-1H-pyrazole-3,5(2H,4H)-dione

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Systematic / IUPAC Name: 4-Butyl-4-[1-(2,5-difluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-1,2-diphenyl-3,5-pyrazolidinedione

ID: Reference4811

Other Names: 3,5-Pyrazolidinedione, 4-butyl-4-[1-(2,5-difluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-1,2-diphenyl-

Formula: C29H25F2N3O4

Spectral Data

4-Butyl-4-[1-(2,5-difluorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]-1,2-diphenyl-1H-pyrazole-3,5(2H,4H)-dione mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/12/2016 8:13:47 AM
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Identificators

InChI InChI=1S/C29H25F2N3O4/c1-2-3-16-29(22-18-25(35)32(26(22)36)24-17-19(30)14-15-23(24)31)27(37)33(20-10-6-4-7-11-20)34(28(29)38)21-12-8-5-9-13-21/h4-15,17,22H,2-3,16,18H2,1H3
InChI Key WCCSKKUVJZYFAV-UHFFFAOYSA-N
Canonical SMILES CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C4CC(=O)N(C4=O)C5=C(C=CC(=C5)F)F
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Other Names 3,5-Pyrazolidinedione, 4-butyl-4-[1-(2,5-difluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-1,2-diphenyl-

In Other Databases

PubChem 2826397
ChemSpider 2104509