For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
S-(-)-8-{[1-(hydroxymethyl)propyl]amino}theophylline, acetate (ester)
SpectraBase Compound ID AvndL11nV2i
InChI InChI=1S/C13H19N5O4/c1-5-8(6-22-7(2)19)14-12-15-9-10(16-12)17(3)13(21)18(4)11(9)20/h8H,5-6H2,1-4H3,(H2,14,15,16)
InChIKey UJIBXGCMTPZSEL-UHFFFAOYSA-N
Mol Weight 309.33 g/mol
Molecular Formula C13H19N5O4
Exact Mass 309.143704 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7m8gueZbcGh
Name S-(-)-8-{[1-(HYDROXYMETHYL)PROPYL]AMINO}THEOPHYLLINE, ACETATE (ESTER)
Source of Sample A. Drabczynska, N. Copernicus Academy of Medicine, Krakow, Poland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19N5O4
InChI InChI=1S/C13H19N5O4/c1-5-8(6-22-7(2)19)14-12-15-9-10(16-12)17(3)13(21)18(4)11(9)20/h8H,5-6H2,1-4H3,(H2,14,15,16)
InChIKey UJIBXGCMTPZSEL-UHFFFAOYSA-N
Literature Reference SYNTHESIS 1983, 577 Abstract-Chemical Abstracts= 100, 6177(1984)
Molecular Weight 309.325989
Synonyms THEOPHYLLINE, 8-//1-/HYDROXY- METHYL/PROPYL/AMINO/-, ACETATE /ESTER/, S-/MINUS/-,
Technique KBr WAFER