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2-METHYL-5-NITROIMIDAZOLE-1-ETHANOL, PHOSPHATE (ESTER)
SpectraBase Compound ID B45aVrlCU8R
InChI InChI=1S/2C6H10N3O6P.2Na/c2*1-5-7-4-6(9(10)11)8(5)2-3-15-16(12,13)14;;/h2*4H,2-3H2,1H3,(H2,12,13,14);;/q;;2*+1/p-2
InChIKey JRCGVQLVVUZMEC-UHFFFAOYSA-L
Mol Weight 546.23306256 g/mol
Molecular Formula C12H18N6Na2O12P2
Exact Mass 546.025333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9BEfvVNsIrw
Name 2-METHYL-5-NITROIMIDAZOLE-1-ETHANOL, PHOSPHATE (ESTER)
Source of Sample M. J. Cho, the Upjohn Company, Kalamazoo, Michigan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H10N3O6P
InChI InChI=1S/2C6H10N3O6P.2Na/c2*1-5-7-4-6(9(10)11)8(5)2-3-15-16(12,13)14;;/h2*4H,2-3H2,1H3,(H2,12,13,14);;/q;;2*+1/p-2
InChIKey JRCGVQLVVUZMEC-UHFFFAOYSA-L
Melting Point 237-238C
Molecular Weight 251.14
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms IMIDAZOLE-1-ETHANOL, 2-METHYL- 5-NITRO-, DIHYDROGEN PHOSPHATE (ESTER)