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5-[(1S)-1,2-DIHYDROXYETHYL]-1-PHENYLPYRAZOLE-3-CARBOXYALDEHYDE
SpectraBase Compound ID 8fubPDxARxt
InChI InChI=1S/C12H12N2O3/c15-7-9-6-11(12(17)8-16)14(13-9)10-4-2-1-3-5-10/h1-7,12,16-17H,8H2/t12-/m1/s1
InChIKey KIGBQILBHJBMFZ-GFCCVEGCSA-N
Mol Weight 232.24 g/mol
Molecular Formula C12H12N2O3
Exact Mass 232.084792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbrmDMkobMS
Name 5-[(1S)-1,2-DIHYDROXYETHYL]-1-PHENYLPYRAZOLE-3-CARBOXYALDEHYDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N2O3
InChI InChI=1S/C12H12N2O3/c15-7-9-6-11(12(17)8-16)14(13-9)10-4-2-1-3-5-10/h1-7,12,16-17H,8H2/t12-/m1/s1
InChIKey KIGBQILBHJBMFZ-GFCCVEGCSA-N
Literature Reference Author N.OIKAWA,C.MUELLER,M.KUNZ,F.W.LICHTENTHALER
Literature Reference Citation CARBOHYDR.RES.,309,269(1998)
Literature Reference DOI 10.1016/S0008-6215(98)00137-2
Molecular Weight 232.239 g/mol
Solvent ME2SO-D6