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7-{2-[4-(p-fluorobenzoyl)piperidino]ethyl]theophylline
SpectraBase Compound ID 9w90AhVtiV0
InChI InChI=1S/C21H24FN5O3/c1-24-19-17(20(29)25(2)21(24)30)27(13-23-19)12-11-26-9-7-15(8-10-26)18(28)14-3-5-16(22)6-4-14/h3-6,13,15H,7-12H2,1-2H3
InChIKey PMEYQPKJAPXGPS-UHFFFAOYSA-N
Mol Weight 413.45 g/mol
Molecular Formula C21H24FN5O3
Exact Mass 413.186318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KPQRYUxKkC
Name
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H24N5O3F
InChI InChI=1S/C21H24FN5O3/c1-24-19-17(20(29)25(2)21(24)30)27(13-23-19)12-11-26-9-7-15(8-10-26)18(28)14-3-5-16(22)6-4-14/h3-6,13,15H,7-12H2,1-2H3
InChIKey PMEYQPKJAPXGPS-UHFFFAOYSA-N
Molecular Weight 413.1858
SMILES c12nc[n](CCN3CCC(C(c4ccc(F)cc4)=O)CC3)c2C(=O)N(C(N1C)=O)C
SPLASH splash10-00di-2190000000-39196bc54d52bb79c74a
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany