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(-)-7-(beta-D-ribopyranosyl)theophylline
SpectraBase Compound ID HQsNX32x7Jx
InChI InChI=1S/C12H16N4O6/c1-14-9-6(10(20)15(2)12(14)21)16(4-13-9)11-8(19)7(18)5(17)3-22-11/h4-5,7-8,11,17-19H,3H2,1-2H3/t5-,7-,8-,11-/m1/s1
InChIKey IAXVIPLJJWNIOX-IOSLPCCCSA-N
Mol Weight 312.28 g/mol
Molecular Formula C12H16N4O6
Exact Mass 312.106984 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JJEDjCU2RQr
Name (-)-7-(beta-D-RIBOPYRANOSYL)THEOPHYLLINE
Source of Sample N. Yamaoka, Tohoku University, Sendai, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N4O6
InChI InChI=1S/C12H16N4O6/c1-14-9-6(10(20)15(2)12(14)21)16(4-13-9)11-8(19)7(18)5(17)3-22-11/h4-5,7-8,11,17-19H,3H2,1-2H3/t5-,7-,8-,11-/m1/s1
InChIKey IAXVIPLJJWNIOX-IOSLPCCCSA-N
Literature Reference JOCE 30, 149(1965)
Melting Point 235-236C
Molecular Weight 312.282013
Optical Properties Optical Rotation= (10C) -22 DEG (c=1, WATER)
Synonyms THEOPHYLLINE, 7-/B-D-RIBOPYRAN- OSYL/-, /MINUS/-,
Technique KBr WAFER