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3-amino-1h-1,2,4-triazole, phosphate, hemihydrate
SpectraBase Compound ID FAej9l8SiJL
InChI InChI=1S/C2H4N4.H3O4P.H2O/c3-2-4-1-5-6-2;1-5(2,3)4;/h1H,(H3,3,4,5,6);(H3,1,2,3,4);1H2
InChIKey SLKYECLROZXCIF-UHFFFAOYSA-N
Mol Weight 191.083 g/mol
Molecular Formula C2H7N4O4P·½H2O
Exact Mass 191.025774 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJTKZrJWYgX
Name 3-amino-1h-1,2,4-triazole, phosphate, hemihydrate
Source of Sample Amchem Products, Inc., Ambler, Pennsylvania
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H16N8O9P2
InChI InChI=1S/C2H4N4.H3O4P.H2O/c3-2-4-1-5-6-2;1-5(2,3)4;/h1H,(H3,3,4,5,6);(H3,1,2,3,4);1H2
InChIKey SLKYECLROZXCIF-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 5222M
Solvent D2O
Synonyms TRIAZOLE, 3-AMINO-, 1H-1,2,4-, PHOSPHATE, HEMIHYDRATE