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1-{2-[(1,1-DIMETHYL-2-HYDROXYETHYL)AMINO]ETHYL}THEOBROMINE
SpectraBase Compound ID E1Jk6VuN05F
InChI InChI=1S/C13H21N5O3/c1-13(2,7-19)15-5-6-18-11(20)9-10(14-8-16(9)3)17(4)12(18)21/h8,15,19H,5-7H2,1-4H3
InChIKey YFPDSGVZLZCVEY-UHFFFAOYSA-N
Mol Weight 295.34 g/mol
Molecular Formula C13H21N5O3
Exact Mass 295.16444 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7f8qEidWFKe
Name 1-{2-[(1,1-DIMETHYL-2-HYDROXYETHYL)AMINO]ETHYL}THEOBROMINE
Source of Sample J. KRUPINSKA AND J. ZAJACZKOWSKA, NICOLAS COPERNICUS ACADEMY OF MEDICINE, CRACOW, POLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21N5O3
InChI InChI=1S/C13H21N5O3/c1-13(2,7-19)15-5-6-18-11(20)9-10(14-8-16(9)3)17(4)12(18)21/h8,15,19H,5-7H2,1-4H3
InChIKey YFPDSGVZLZCVEY-UHFFFAOYSA-N
Literature Reference POLISH J. PHARMACOL. PHARM. 38, 215(1986) Abstract-Chemical Abstracts= 105, 164672H(1986)
Molecular Weight 295.342987
Synonyms THEOBROMINE, 1-/2-//1,1-DIMETHYL- 2-HYDROXYETHYL/AMINO/ETHYL/-,
Technique KBr WAFER