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1H-pyrrole-1-butanoic acid, 3-benzoyl-2,5-dihydro-4-hydroxy-2-(3-nitrophenyl)-5-oxo-
SpectraBase Compound ID DfA5AX2Q4sF
InChI InChI=1S/C21H18N2O7/c24-16(25)10-5-11-22-18(14-8-4-9-15(12-14)23(29)30)17(20(27)21(22)28)19(26)13-6-2-1-3-7-13/h1-4,6-9,12,18,27H,5,10-11H2,(H,24,25)
InChIKey AHJNOEXWJJUKCY-UHFFFAOYSA-N
Mol Weight 410.38 g/mol
Molecular Formula C21H18N2O7
Exact Mass 410.111401 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID PddYzk255J
Name 1H-pyrrole-1-butanoic acid, 3-benzoyl-2,5-dihydro-4-hydroxy-2-(3-nitrophenyl)-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 410.111400921 u
Formula C21H18N2O7
InChI InChI=1S/C21H18N2O7/c24-16(25)10-5-11-22-18(14-8-4-9-15(12-14)23(29)30)17(20(27)21(22)28)19(26)13-6-2-1-3-7-13/h1-4,6-9,12,18,27H,5,10-11H2,(H,24,25)
InChIKey AHJNOEXWJJUKCY-UHFFFAOYSA-N
Molecular Weight 410.382 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3699
Solvent DMSO-d6
Source Vendor ID: NMR/9236426; Lab Info: GEI; Lab Number: GEI-G003613