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THEOPHYLLINE, COMPOUND WITH ETHYLENEDIAMINE, DIHYDRATE

View entire compound with spectra: 1 FTIR

THEOPHYLLINE, COMPOUND WITH ETHYLENEDIAMINE, DIHYDRATE
SpectraBase Compound ID GC53GYC4BVW
InChI InChI=1S/2C7H8N4O2.C2H8N2.2H2O/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4;;/h2*3H,1-2H3,(H,8,9);1-4H2;2*1H2
InChIKey FXNJPZOEDHBGEY-UHFFFAOYSA-N
Mol Weight 456.46 g/mol
Molecular Formula C16H28N10O6
Exact Mass 456.219329 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 81ohRMeqbo1
Name THEOPHYLLINE, COMPOUND WITH ETHYLENEDIAMINE, DIHYDRATE
Source of Sample E. MERCK AG, DARMSTADT, GERMANY
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28N10O6
InChI InChI=1S/2C7H8N4O2.C2H8N2.2H2O/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4;;/h2*3H,1-2H3,(H,8,9);1-4H2;2*1H2
InChIKey FXNJPZOEDHBGEY-UHFFFAOYSA-N
Molecular Weight 456.463989
Synonyms THEOPHYLLINE, CMPD WITH ETHYLENE- DIAMINE, DIHYDRATE AMINOPHYLLINE, DIHYDRATE
Technique KBr WAFER