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ANTI-3-CARBOMETHOXY-3-(1'-HYDROXYBUTYL)-1-PYRAZOLINE;MINOR_STEREOMER
SpectraBase Compound ID HGQO1tQCgJ2
InChI InChI=1S/C9H16N2O3/c1-3-4-7(12)9(8(13)14-2)5-6-10-11-9/h7,12H,3-6H2,1-2H3/t7-,9-/m0/s1
InChIKey HOVSXOPTUUAISW-CBAPKCEASA-N
Mol Weight 200.24 g/mol
Molecular Formula C9H16N2O3
Exact Mass 200.116092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGiukS4hRln
Name ANTI-3-CARBOMETHOXY-3-(1'-HYDROXYBUTYL)-1-PYRAZOLINE;MINOR_STEREOMER
Compound Number 26B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16N2O3
InChI InChI=1S/C9H16N2O3/c1-3-4-7(12)9(8(13)14-2)5-6-10-11-9/h7,12H,3-6H2,1-2H3/t7-,9-/m0/s1
InChIKey HOVSXOPTUUAISW-CBAPKCEASA-N
Literature Reference Author R.ANNUNZIATA,M.BENAGLIA,M.CINQUINI,F.COZZI,L.RAIMONDI
Literature Reference Citation J.ORG.CHEM.,60,4697(1995)
Literature Reference DOI 10.1021/jo00120a009
Molecular Weight 200.238 g/mol
Solvent CDCl3
Source File Reference UWMZ2168