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benzoic acid, 3-[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 CTKcP45Khyb
InChI InChI=1S/C20H16ClN3O4/c1-23-15-10-24(14-4-2-3-12(9-14)19(26)27)18(25)16(15)17(22-20(23)28)11-5-7-13(21)8-6-11/h2-9,17H,10H2,1H3,(H,22,28)(H,26,27)
InChIKey TZXVCNGXOULRID-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 CtdzgAIVjC5
Name benzoic acid, 3-[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(14-4-2-3-12(9-14)19(26)27)18(25)16(15)17(22-20(23)28)11-5-7-13(21)8-6-11/h2-9,17H,10H2,1H3,(H,22,28)(H,26,27)
InChIKey TZXVCNGXOULRID-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_7089
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/18277238; Labnumber: POV-2200303