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1H-pyrrole-1-butanoic acid, 3-benzoyl-2-(4-bromophenyl)-2,5-dihydro-4-hydroxy-5-oxo-
SpectraBase Compound ID cKNbQAo3i2
InChI InChI=1S/C21H18BrNO5/c22-15-10-8-13(9-11-15)18-17(19(26)14-5-2-1-3-6-14)20(27)21(28)23(18)12-4-7-16(24)25/h1-3,5-6,8-11,18,27H,4,7,12H2,(H,24,25)
InChIKey NPLLOFTXHKTLAN-UHFFFAOYSA-N
Mol Weight 444.28 g/mol
Molecular Formula C21H18BrNO5
Exact Mass 443.036836 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Ab59f4uB9T
Name 1H-pyrrole-1-butanoic acid, 3-benzoyl-2-(4-bromophenyl)-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 443.036835679 u
Formula C21H18BrNO5
InChI InChI=1S/C21H18BrNO5/c22-15-10-8-13(9-11-15)18-17(19(26)14-5-2-1-3-6-14)20(27)21(28)23(18)12-4-7-16(24)25/h1-3,5-6,8-11,18,27H,4,7,12H2,(H,24,25)
InChIKey NPLLOFTXHKTLAN-UHFFFAOYSA-N
Molecular Weight 444.281 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9955
Solvent DMSO-d6
Source Vendor ID: NMR/9236425; Lab Info: GEI; Lab Number: GEI-G003610