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1-(4-Chloro-2-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(4-Chloro-2-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID AkWHuk1ThsH
InChI InChI=1S/C14H12ClFN4O2/c1-18-7-17-12-11(18)13(21)20(14(22)19(12)2)6-8-3-4-9(15)5-10(8)16/h3-5,7H,6H2,1-2H3
InChIKey IOLOKZUSKLCPOM-UHFFFAOYSA-N
Mol Weight 322.73 g/mol
Molecular Formula C14H12ClFN4O2
Exact Mass 322.063282 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3oMUVNJVwmA
Name 1H-purine-2,6-dione, 1-[(4-chloro-2-fluorophenyl)methyl]-3,7-dihydro-3,7-dimethyl-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.063281503 u
Formula C14H12ClFN4O2
InChI InChI=1S/C14H12ClFN4O2/c1-18-7-17-12-11(18)13(21)20(14(22)19(12)2)6-8-3-4-9(15)5-10(8)16/h3-5,7H,6H2,1-2H3
InChIKey IOLOKZUSKLCPOM-UHFFFAOYSA-N
Molecular Weight 322.727 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13453
Solvent DMSO-d6
Source Vendor ID: NMR/10270460; Lab Info: SAD; Lab Number: SAD-0000001