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9-[3-(p-fluorobenzoyl)propyl]-1-methylisoguanine, p-toluenesulfonate

Compound with spectra: 1 NMR, and 1 FTIR

9-[3-(p-fluorobenzoyl)propyl]-1-methylisoguanine, p-toluenesulfonate
SpectraBase Compound ID J7V3szJzXAm
InChI InChI=1S/C16H16FN5O2.C7H8O3S/c1-21-14(18)13-15(20-16(21)24)22(9-19-13)8-2-3-12(23)10-4-6-11(17)7-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,9,18H,2-3,8H2,1H3,(H,20,24);2-5H,1H3,(H,8,9,10)
InChIKey QEYWXKCUPORVJK-UHFFFAOYSA-N
Mol Weight 501.53 g/mol
Molecular Formula C23H24FN5O5S
Exact Mass 501.148218 g/mol
Parent InChIKey VGGYXUINKKBAHX-UHFFFAOYSA-N

View Spectrum of 9-[3-(p-fluorobenzoyl)propyl]-1-methylisoguanine, p-toluenesulfonate

1H NMR Spectrum
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Solvent Polysol-d

View Spectrum of 9-[3-(p-fluorobenzoyl)propyl]-1-methylisoguanine, p-toluenesulfonate

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample K. Grozinger, Boehringer Ingelheim Ltd., Ridgefield, Connecticut
Technique KBr WAFER
  • ISOGUANINE, 9-/3-/P-FLUOROBENZOYL/- PROPYL/-1-METHYL-, P-TOLUENESULFONATE
7-[3-(p-fluorobenzoyl)propyl]-1-methylisoguanine, p-toluenesulfonate
R-(+)-8-{[1-(chloromethyl)propyl]amino}theophylline
8-(cyclopentylamino)-1,3-dimethyl-7H-purine-2,6-dione
5-(4-Chlorophenylsulfonylamino)-1-(4-phenylbutyl)-1H-imidazole-N-(3-cyclohexylamino-propyl)-4-carboxamide semihydrate
1,3-Dimethyl-7-n-propylxanthine
5-(4-Chlorophenylsulfonylamino)-1-(3-phenylpropyl)-1H-imidazole-N-(3-cyclohexylamino-propyl)-4-carboxamide
8-(4-BROMOPHENYL)-1-PROPYLXANTHINE
1,3-dimethyl-8-(neopentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
8-(4-BROMOPHENYL)-1-PROPARGYLXANTHINE
2-AMINO-1,9-DIHYDRO-9-(TETRAHYDRO-4-HYDROXYFURAN-2-YL)-(2R-TRANS)-6H-PURIN-6-ONE
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