John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7hmWAaCPMeI SpectraBase Spectrum ID=2bRDVnP7N5x

(accessed ).
L-7-{2-[(b-hydroxy-a-methylphenethyl)amino]ethyl}theophylline, monohydrochloride
SpectraBase Compound ID 7hmWAaCPMeI
InChI InChI=1S/C18H23N5O3.ClH/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2;/h4-8,11-12,15,19,24H,9-10H2,1-3H3;1H
InChIKey UTTZHZDGHMJDPM-UHFFFAOYSA-N
Mol Weight 393.88 g/mol
Molecular Formula C18H24ClN5O3
Exact Mass 393.156768 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2bRDVnP7N5x
Name L-7-{2-[(beta-HYDROXY-alpha-METHYLPHENETHYL)AMINO]ETHYL}THEOPHYLLINE,MONOHYDROCHLORIDE
Source of Sample J. Engel, Chemiewerk Homburg, Frankfurt/Main, Germany
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23N5O3 HCl
InChI InChI=1S/C18H23N5O3.ClH/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2;/h4-8,11-12,15,19,24H,9-10H2,1-3H3;1H
InChIKey UTTZHZDGHMJDPM-UHFFFAOYSA-N
Melting Point 244-246C (dec.)
Molecular Weight 393.88
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
SpectraBase Batch ID 9u8wb9LWHik
Synonyms THEOPHYLLINE, 7-/2-//B-HYDROXY- A-METHYLPHENETHYL/AMINO/ETHYL/-, MONOHYDROCHLORIDE, L-,