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benzoic acid, 4-[[7-[(3,4-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-[(3,4-dichlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]oxy]-, methyl ester
SpectraBase Compound ID LdAi7dmibU2
InChI InChI=1S/C22H18Cl2N4O5/c1-26-18-17(19(29)27(2)22(26)31)28(11-12-4-9-15(23)16(24)10-12)21(25-18)33-14-7-5-13(6-8-14)20(30)32-3/h4-10H,11H2,1-3H3
InChIKey LQYJWMMTMQUEAF-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 5tRVwh8tptb
Name benzoic acid, 4-[[7-[(3,4-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(11-12-4-9-15(23)16(24)10-12)21(25-18)33-14-7-5-13(6-8-14)20(30)32-3/h4-10H,11H2,1-3H3
InChIKey LQYJWMMTMQUEAF-UHFFFAOYSA-N
Molecular Weight 489.315 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5932
Solvent DMSO-d6
Source Vendor ID: NMR/9311356; Lab Info: SAD; Lab Number: SAD-das1139