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[4-[3-benzoyl-2-(2,4-dichloro-phenyl)-4-hydroxy-5-oxo-2,5-dihydro-pyrrol-1-yl]-phenoxy]-acetic acid
SpectraBase Compound ID BwYjNclYx3d
InChI InChI=1S/C25H17Cl2NO6/c26-15-6-11-18(19(27)12-15)22-21(23(31)14-4-2-1-3-5-14)24(32)25(33)28(22)16-7-9-17(10-8-16)34-13-20(29)30/h1-12,22,32H,13H2,(H,29,30)
InChIKey SPHARBYMFNPXRW-UHFFFAOYSA-N
Mol Weight 498.32 g/mol
Molecular Formula C25H17Cl2NO6
Exact Mass 497.043293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2Swy4ycPy4
Name [4-[3-benzoyl-2-(2,4-dichloro-phenyl)-4-hydroxy-5-oxo-2,5-dihydro-pyrrol-1-yl]-phenoxy]-acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H17Cl2NO6
InChI InChI=1S/C25H17Cl2NO6/c26-15-6-11-18(19(27)12-15)22-21(23(31)14-4-2-1-3-5-14)24(32)25(33)28(22)16-7-9-17(10-8-16)34-13-20(29)30/h1-12,22,32H,13H2,(H,29,30)
InChIKey SPHARBYMFNPXRW-UHFFFAOYSA-N
Molecular Weight 498.318 g/mol
SMILES OC(COc1ccc(N2C(C(=C(C2c2c(cc(cc2)Cl)Cl)C(=O)c2ccccc2)O)=O)cc1)=O
SPLASH splash10-0a6r-7920000000-e1b1022caf0c961e1d8e
Synonyms {4-[3-benzoyl-2-(2,4-dichlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenoxy}acetic acid
Wiley ID 1453466