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

*Links on SpectraBase are not permalinks.
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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID HbEh28Mfug5
Name 7-{3-[4-(p-FLUOROBENZOYL)PIPERIDINO]PROPYL}THEOPHYLLINE
Source of Sample K. THIELE, SIEGFRIED AG, ZOFINGEN, SWITZERLAND
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
Literature Reference ARZNEIM.-FORSCH. (DRUG RES.) 34, 1(1984) Abstract-Chemical Abstracts= 100, 138835R(1984)
Melting Point 114-119C
Molecular Weight 427.481995
Synonyms FLUPROFYLLINE THEOPHYLLINE, 7-/3-/4-/P-FLUORO- BENZOYL/PIPERIDINO/PROPYL/-,
Technique KBr WAFER