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1H-pyrrole-1-hexanoic acid, 3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-2,5-dihydro-4-hydroxy-5-oxo-

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1H-pyrrole-1-hexanoic acid, 3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-2,5-dihydro-4-hydroxy-5-oxo-
SpectraBase Compound ID 6ovYj8dMTBE
InChI InChI=1S/C23H21ClFNO5/c24-16-9-5-15(6-10-16)21(29)19-20(14-7-11-17(25)12-8-14)26(23(31)22(19)30)13-3-1-2-4-18(27)28/h5-12,20,30H,1-4,13H2,(H,27,28)
InChIKey BOXYWNMSNSGTBA-UHFFFAOYSA-N
Mol Weight 445.87 g/mol
Molecular Formula C23H21ClFNO5
Exact Mass 445.109229 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1aF35dU5qss
Name 1H-pyrrole-1-hexanoic acid, 3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-2,5-dihydro-4-hydroxy-5-oxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.109228638 u
Formula C23H21ClFNO5
InChI InChI=1S/C23H21ClFNO5/c24-16-9-5-15(6-10-16)21(29)19-20(14-7-11-17(25)12-8-14)26(23(31)22(19)30)13-3-1-2-4-18(27)28/h5-12,20,30H,1-4,13H2,(H,27,28)
InChIKey BOXYWNMSNSGTBA-UHFFFAOYSA-N
Molecular Weight 445.874 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9958
Solvent DMSO-d6
Source Vendor ID: NMR/9245911; Lab Info: GEI; Lab Number: GEI-M000004