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benzoic acid, 4-[4-(4-chlorophenyl)-1,2,3,4,5,7-hexahydro-1-methyl-2,5-dioxo-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-
SpectraBase Compound ID 50xNUQ55bKD
InChI InChI=1S/C20H16ClN3O4/c1-23-15-10-24(14-8-4-12(5-9-14)19(26)27)18(25)16(15)17(22-20(23)28)11-2-6-13(21)7-3-11/h2-9,17H,10H2,1H3,(H,22,28)(H,26,27)
InChIKey ZQWCUXPCIXKLPX-UHFFFAOYSA-N
Mol Weight 397.82 g/mol
Molecular Formula C20H16ClN3O4
Exact Mass 397.082934 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3svtvVsPfNq
Name benzoic acid, 4-[4-(4-chlorophenyl)-1,2,3,4,5,7-hexahydro-1-methyl-2,5-dioxo-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H16ClN3O4/c1-23-15-10-24(14-8-4-12(5-9-14)19(26)27)18(25)16(15)17(22-20(23)28)11-2-6-13(21)7-3-11/h2-9,17H,10H2,1H3,(H,22,28)(H,26,27)
InChIKey ZQWCUXPCIXKLPX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_7088
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: NMR/18277237; Labnumber: POV-2200302