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

*Links on SpectraBase are not permalinks.
1-BUTYL-8-[4-[(4-PHENYLPIPERAZIN-1-YL)-2-OXOETHOXY]-PHENYL]-XANTHINE
SpectraBase Compound ID C8g2WIyjsUk
InChI InChI=1S/C27H30N6O4/c1-2-3-13-33-26(35)23-25(30-27(33)36)29-24(28-23)19-9-11-21(12-10-19)37-18-22(34)32-16-14-31(15-17-32)20-7-5-4-6-8-20/h4-12H,2-3,13-18H2,1H3,(H,28,29)(H,30,36)
InChIKey QTBMOCRVBFJFDG-UHFFFAOYSA-N
Mol Weight 502.58 g/mol
Molecular Formula C27H30N6O4
Exact Mass 502.232853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID irMzuUNbbE
Name 1-BUTYL-8-[4-[(4-PHENYLPIPERAZIN-1-YL)-2-OXOETHOXY]-PHENYL]-XANTHINE
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30N6O4
InChI InChI=1S/C27H30N6O4/c1-2-3-13-33-26(35)23-25(30-27(33)36)29-24(28-23)19-9-11-21(12-10-19)37-18-22(34)32-16-14-31(15-17-32)20-7-5-4-6-8-20/h4-12H,2-3,13-18H2,1H3,(H,28,29)(H,30,36)
InChIKey QTBMOCRVBFJFDG-UHFFFAOYSA-N
Literature Reference Author A.M.HAYALLAH,J.SANDOVAL-RAMIREZ,U.REITH,U.SCHOBERT,B.PREISS, B.SCHUMACHER,J.W.DAL
Literature Reference Citation J.MED.CHEM.,45,1500(2002)
Literature Reference DOI 10.1021/jm011049y
Molecular Weight 502.573 g/mol
Sample ID 64313
Solvent DMSO-D6