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3-amino-1h-1,2,4-triazole, phosphate, hemihydrate

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

3-amino-1h-1,2,4-triazole, phosphate, hemihydrate
SpectraBase Compound ID 9GHsnKtbFiC
InChI InChI=1S/2C2H4N4.2H3O4P.H2O/c2*3-2-4-1-5-6-2;2*1-5(2,3)4;/h2*1H,(H3,3,4,5,6);2*(H3,1,2,3,4);1H2
InChIKey SGJMGVSQUFKRCO-UHFFFAOYSA-N
Mol Weight 191.083 g/mol
Molecular Formula C2H7N4O4P·½H2O
Exact Mass 191.025774 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Ppk6hltyrm
Name 3-AMINO-1H-1,2,4-TRIAZOLE, PHOSPHATE (1:1), HEMIHYDRATE
Source of Sample Amchem Corporation, Ambler, Pennsylvania
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C2H4N4 H3PO4 1/2H2O
InChI InChI=1S/2C2H4N4.2H3O4P.H2O/c2*3-2-4-1-5-6-2;2*1-5(2,3)4;/h2*1H,(H3,3,4,5,6);2*(H3,1,2,3,4);1H2
InChIKey SGJMGVSQUFKRCO-UHFFFAOYSA-N
Melting Point 166-166.8C
Molecular Weight 192.20
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms TRIAZOLE, 3-AMINO-, 1H-1,2,4-, PHOSPHATE, HEMIHYDRATE