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4,6-Diaminopyrimidine hemisulfate monohydrate

View entire compound with spectra: 2 FTIR, and 1 Raman

4,6-Diaminopyrimidine hemisulfate monohydrate
SpectraBase Compound ID GX5TE4CCOdW
InChI InChI=1S/2C4H6N4.H2O4S.2H2O/c2*5-3-1-4(6)8-2-7-3;1-5(2,3)4;;/h2*1-2H,(H4,5,6,7,8);(H2,1,2,3,4);2*1H2
InChIKey QRYSJEOFNCHGBL-UHFFFAOYSA-N
Mol Weight 177.17 g/mol
Molecular Formula C4H8N4O·½H2O4S
Exact Mass 177.053501 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 5XrUdvn5QS
Name 4,6-Diaminopyrimidine hemisulfate monohydrate
Source of Sample Acros Organics
Catalog Number 112410010
Lot Number A0246839
CAS Registry Number 207226-28-6
Color Properties Yellow
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H18N8O6S
InChI InChI=1S/2C4H6N4.H2O4S.2H2O/c2*5-3-1-4(6)8-2-7-3;1-5(2,3)4;;/h2*1-2H,(H4,5,6,7,8);(H2,1,2,3,4);2*1H2
InChIKey QRYSJEOFNCHGBL-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 354.342 g/mol
Physical State Solid
Purity 98%
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)