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(4R,5R,6R)-4,5-DIHYDROXY-6-HYDROXYMETHYL-1,4,5,6-TETRAHYDROPYRIDAZINE-TRIFLUOROACETIC-ACID-SALT
SpectraBase Compound ID 7UX7IQr6bTm
InChI InChI=1S/C5H10N2O3.C2HF3O2/c8-2-3-5(10)4(9)1-6-7-3;3-2(4,5)1(6)7/h1,3-5,7-10H,2H2;(H,6,7)/t3-,4-,5-;/m1./s1
InChIKey QFIDGCYLKRWYPB-DEVUXVJFSA-N
Mol Weight 260.17 g/mol
Molecular Formula C7H11F3N2O5
Exact Mass 260.062006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 70JFZY35Gqe
Name (4R,5R,6R)-4,5-DIHYDROXY-6-HYDROXYMETHYL-1,4,5,6-TETRAHYDROPYRIDAZINE-TRIFLUOROACETIC-ACID-SALT
Compound Number 31-TRIFLUOROACETIC-ACID-SALT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H11F3N2O5
InChI InChI=1S/C5H10N2O3.C2HF3O2/c8-2-3-5(10)4(9)1-6-7-3;3-2(4,5)1(6)7/h1,3-5,7-10H,2H2;(H,6,7)/t3-,4-,5-;/m1./s1
InChIKey QFIDGCYLKRWYPB-DEVUXVJFSA-N
Literature Reference Author P.J.MELONCELLI,R.V.STICK
Literature Reference Citation AUSTR.J.CHEM.,59,827(2006)
Literature Reference DOI 10.1071/CH06241
Molecular Weight 260.170 g/mol
Sample ID 37834
Solvent DMSO-D6