For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

benzoic acid, 4-[[7-[(2-chloro-4-fluorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]oxy]-, methyl ester
SpectraBase Compound ID 3yJtipu2w3I
InChI InChI=1S/C22H18ClFN4O5/c1-26-18-17(19(29)27(2)22(26)31)28(11-13-4-7-14(24)10-16(13)23)21(25-18)33-15-8-5-12(6-9-15)20(30)32-3/h4-10H,11H2,1-3H3
InChIKey KMEZUNUODFSZJR-UHFFFAOYSA-N
Mol Weight 472.86 g/mol
Molecular Formula C22H18ClFN4O5
Exact Mass 472.094976 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IAWvjGAZ0Gc
Name benzoic acid, 4-[[7-[(2-chloro-4-fluorophenyl)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 472.094975554 u
Formula C22H18ClFN4O5
InChI InChI=1S/C22H18ClFN4O5/c1-26-18-17(19(29)27(2)22(26)31)28(11-13-4-7-14(24)10-16(13)23)21(25-18)33-15-8-5-12(6-9-15)20(30)32-3/h4-10H,11H2,1-3H3
InChIKey KMEZUNUODFSZJR-UHFFFAOYSA-N
Molecular Weight 472.860 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6254
Solvent DMSO-d6
Source Vendor ID: NMR/9301259; Lab Info: SAD; Lab Number: SAD-DAST890