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acetic acid, [4-[3-benzoyl-2-(2-fluorophenyl)-2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrol-1-yl]phenoxy]-
SpectraBase Compound ID EjrwHd1nHKA
InChI InChI=1S/C25H18FNO6/c26-19-9-5-4-8-18(19)22-21(23(30)15-6-2-1-3-7-15)24(31)25(32)27(22)16-10-12-17(13-11-16)33-14-20(28)29/h1-13,22,31H,14H2,(H,28,29)
InChIKey QZBDWWITWCVKAP-UHFFFAOYSA-N
Mol Weight 447.42 g/mol
Molecular Formula C25H18FNO6
Exact Mass 447.111815 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DAwu3oTA4At
Name acetic acid, [4-[3-benzoyl-2-(2-fluorophenyl)-2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrol-1-yl]phenoxy]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.111815461 u
Formula C25H18FNO6
InChI InChI=1S/C25H18FNO6/c26-19-9-5-4-8-18(19)22-21(23(30)15-6-2-1-3-7-15)24(31)25(32)27(22)16-10-12-17(13-11-16)33-14-20(28)29/h1-13,22,31H,14H2,(H,28,29)
InChIKey QZBDWWITWCVKAP-UHFFFAOYSA-N
Molecular Weight 447.418 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17963
Solvent DMSO-d6
Source Vendor ID: NMR/11240404; Lab Info: GEI; Lab Number: GEI-G008063