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3-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoic acid
SpectraBase Compound ID 5WwQbTG3A8t
InChI InChI=1S/C21H20N2O5/c1-3-28-20(27)21(2)13-17(18(24)23(21)16-10-5-4-6-11-16)22-15-9-7-8-14(12-15)19(25)26/h4-13,22H,3H2,1-2H3,(H,25,26)
InChIKey KIFNHVWJZBJDNX-UHFFFAOYSA-N
Mol Weight 380.4 g/mol
Molecular Formula C21H20N2O5
Exact Mass 380.137222 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8DSMM1xN5H
Name 3-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H20N2O5/c1-3-28-20(27)21(2)13-17(18(24)23(21)16-10-5-4-6-11-16)22-15-9-7-8-14(12-15)19(25)26/h4-13,22H,3H2,1-2H3,(H,25,26)
InChIKey KIFNHVWJZBJDNX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14894
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: C21964; Labnumber: RPGE-2115; SBI_ID: SBI-014897
Temperature 308 °C