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1-[3-(diethylamino)-2-hydroxypropyl]theobromine

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1-[3-(diethylamino)-2-hydroxypropyl]theobromine
SpectraBase Compound ID 5nlfTOtGv8C
InChI InChI=1S/C14H23N5O3/c1-5-18(6-2)7-10(20)8-19-13(21)11-12(15-9-16(11)3)17(4)14(19)22/h9-10,20H,5-8H2,1-4H3
InChIKey JDWKXHNEFVOVTB-UHFFFAOYSA-N
Mol Weight 309.37 g/mol
Molecular Formula C14H23N5O3
Exact Mass 309.18009 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bg1PYJSUnpb
Name 1-[3-(diethylamino)-2-hydroxypropyl]theobromine
Source of Sample M. Eckstein, Medical Academy, Krakow, Poland
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H23N5O3
InChI InChI=1S/C14H23N5O3/c1-5-18(6-2)7-10(20)8-19-13(21)11-12(15-9-16(11)3)17(4)14(19)22/h9-10,20H,5-8H2,1-4H3
InChIKey JDWKXHNEFVOVTB-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 1069M
Solvent CDCl3
Synonyms THEOBROMINE, 1-/3-/DIETHYLAMINO/- 2-HYDROXYPROPYL/-,