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7-[3-(diisobutylamino)-2-hydroxypropyl]theophylline

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7-[3-(diisobutylamino)-2-hydroxypropyl]theophylline
SpectraBase Compound ID IbVx9iivmw0
InChI InChI=1S/C18H31N5O3/c1-12(2)7-22(8-13(3)4)9-14(24)10-23-11-19-16-15(23)17(25)21(6)18(26)20(16)5/h11-14,24H,7-10H2,1-6H3
InChIKey AOQLAJBEIGIJPP-UHFFFAOYSA-N
Mol Weight 365.48 g/mol
Molecular Formula C18H31N5O3
Exact Mass 365.24269 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8psPwmAQgvN
Name 7-[3-(diisobutylamino)-2-hydroxypropyl]theophylline
Source of Sample H. Fukuda, Nippon Shin-Yaku Company, Ltd., Kyoto, Japan
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31N5O3
InChI InChI=1S/C18H31N5O3/c1-12(2)7-22(8-13(3)4)9-14(24)10-23-11-19-16-15(23)17(25)21(6)18(26)20(16)5/h11-14,24H,7-10H2,1-6H3
InChIKey AOQLAJBEIGIJPP-UHFFFAOYSA-N
Instrument Name Varian A-60
Literature Reference Abstract-Chemical Abstracts= 60, 4140(1964)
Sadtler NMR Number 1645M
Solvent CDCl3
Synonyms THEOPHYLLINE, 7-/3-/DIISOBUTYL- AMINO/-2-HYDROXYPROPYL/-,