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7-{3-[4-(p-fluorobenzoyl)piperidino]propyl]theophylline

View entire compound with spectra: 2 NMR, and 1 FTIR

7-{3-[4-(p-fluorobenzoyl)piperidino]propyl]theophylline
SpectraBase Compound ID 9QfnoqnlJ3n
InChI InChI=1S/C22H26FN5O3/c1-25-20-18(21(30)26(2)22(25)31)28(14-24-20)11-3-10-27-12-8-16(9-13-27)19(29)15-4-6-17(23)7-5-15/h4-7,14,16H,3,8-13H2,1-2H3
InChIKey IPSYNNODBHPDFB-UHFFFAOYSA-N
Mol Weight 427.48 g/mol
Molecular Formula C22H26FN5O3
Exact Mass 427.201968 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Drx7nCiVqyE
Name 7-{3-[4-(p-FLUOROBENZOYL)PIPERIDINO]PROPYL}THEOPHYLLINE
Source of Sample K. Thiele, Siegfried AG, Zofingen, Switzerland
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26FN5O3
InChI InChI=1S/C22H26FN5O3/c1-25-20-18(21(30)26(2)22(25)31)28(14-24-20)11-3-10-27-12-8-16(9-13-27)19(29)15-4-6-17(23)7-5-15/h4-7,14,16H,3,8-13H2,1-2H3
InChIKey IPSYNNODBHPDFB-UHFFFAOYSA-N
Melting Point 114-119C
Molecular Weight 427.48
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20