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adenine, sulfate(2:1), dihydrate

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 UV-Vis

adenine, sulfate(2:1), dihydrate
SpectraBase Compound ID 6kOwFMqfbJY
InChI InChI=1S/2C5H5N5.H2O4S.2H2O/c2*6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4;;/h2*1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4);2*1H2
InChIKey MKPCNMXYTMQZBE-UHFFFAOYSA-N
Mol Weight 404.36 g/mol
Molecular Formula C10H16N10O6S
Exact Mass 404.097499 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ISuaVhu2fqI
Name ADENINE, SULFATE, (2:1), DIHYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula 2C5H5N5 H2SO4 2H2O
InChI InChI=1S/2C5H5N5.H2O4S.2H2O/c2*6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4;;/h2*1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4);2*1H2
InChIKey MKPCNMXYTMQZBE-UHFFFAOYSA-N
Melting Point 185C (dec.)
Molecular Weight 404.37
Solvent Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms ADENINE, SULFATE, DIHYDRATE