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benzoic acid, 4-[[7-[(2,4-dichlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]oxy]-, methyl ester

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benzoic acid, 4-[[7-[(2,4-dichlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]oxy]-, methyl ester
SpectraBase Compound ID 3Mq2AdW1NRj
InChI InChI=1S/C22H18Cl2N4O5/c1-26-18-17(19(29)27(2)22(26)31)28(11-13-4-7-14(23)10-16(13)24)21(25-18)33-15-8-5-12(6-9-15)20(30)32-3/h4-10H,11H2,1-3H3
InChIKey NPKGVEYCEUZJML-UHFFFAOYSA-N
Mol Weight 489.32 g/mol
Molecular Formula C22H18Cl2N4O5
Exact Mass 488.065425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KrgBqSyCWX4
Name benzoic acid, 4-[[7-[(2,4-dichlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]oxy]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.065425091 u
Formula C22H18Cl2N4O5
InChI InChI=1S/C22H18Cl2N4O5/c1-26-18-17(19(29)27(2)22(26)31)28(11-13-4-7-14(23)10-16(13)24)21(25-18)33-15-8-5-12(6-9-15)20(30)32-3/h4-10H,11H2,1-3H3
InChIKey NPKGVEYCEUZJML-UHFFFAOYSA-N
Molecular Weight 489.315 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10328
Solvent DMSO-d6
Source Vendor ID: NMR/10241172; Lab Info: SAD; Lab Number: SAD-0001797