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7-[2'-(1""-Methyl-2""-phenylethylamino)propyl]-theophilline

View entire compound with spectra: 1 NMR, and 1 MS (GC)

7-[2'-(1""-Methyl-2""-phenylethylamino)propyl]-theophilline
SpectraBase Compound ID 1W9dQSafwcQ
InChI InChI=1S/C19H25N5O2/c1-13(10-15-8-6-5-7-9-15)21-14(2)11-24-12-20-17-16(24)18(25)23(4)19(26)22(17)3/h5-9,12-14,21H,10-11H2,1-4H3
InChIKey CYWYUYISKCGNTK-UHFFFAOYSA-N
Mol Weight 355.44 g/mol
Molecular Formula C19H25N5O2
Exact Mass 355.200825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JG5LKd4H4gB
Name 7-[2'-(1""-Methyl-2""-phenylethylamino)propyl]-theophilline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.200825063 u
Formula C19H25N5O2
InChI InChI=1S/C19H25N5O2/c1-13(10-15-8-6-5-7-9-15)21-14(2)11-24-12-20-17-16(24)18(25)23(4)19(26)22(17)3/h5-9,12-14,21H,10-11H2,1-4H3
InChIKey CYWYUYISKCGNTK-UHFFFAOYSA-N
Molecular Weight 355.442 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)N(CC(NC(CC2=CC=CC=C2)C)C)C=N1