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7-(beta-D-XYLOPYRANOSYL)THEOPHYLLINE, TRIACETATE
SpectraBase Compound ID IUDeTC5Jqfy
InChI InChI=1S/C18H22N4O9/c1-8(23)29-11-6-28-17(14(31-10(3)25)13(11)30-9(2)24)22-7-19-15-12(22)16(26)21(5)18(27)20(15)4/h7,11,13-14,17H,6H2,1-5H3/t11-,13+,14-,17-/m1/s1
InChIKey XAPZOHBOMPPJLG-ABYLEIOUSA-N
Mol Weight 438.39 g/mol
Molecular Formula C18H22N4O9
Exact Mass 438.138678 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID F1sasYAIWca
Name 7-(beta-D-XYLOPYRANOSYL)THEOPHYLLINE, TRIACETATE
Source of Sample N. Yamaoka, Tohoku University, Sendai, Japan
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N4O9
InChI InChI=1S/C18H22N4O9/c1-8(23)29-11-6-28-17(14(31-10(3)25)13(11)30-9(2)24)22-7-19-15-12(22)16(26)21(5)18(27)20(15)4/h7,11,13-14,17H,6H2,1-5H3/t11-,13+,14-,17-/m1/s1
InChIKey XAPZOHBOMPPJLG-ABYLEIOUSA-N
Melting Point 161-162C
Molecular Weight 438.393005
Synonyms THEOPHYLLINE, 7-/B-D-XYLOPYRAN- OSYL/-, TRIACETATE
Technique KBr WAFER