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SYN-3-(HYDROXYMETHYL)-3-(1'-HYDROXYBUTYL)-1-PYRAZOLINE;MAJOR_STEREOMER
SpectraBase Compound ID AKMTHLzHY02
InChI InChI=1S/C8H16N2O2/c1-2-3-7(12)8(6-11)4-5-9-10-8/h7,11-12H,2-6H2,1H3/t7-,8-/m0/s1
InChIKey KOXOISUQCGHADC-YUMQZZPRSA-N
Mol Weight 172.23 g/mol
Molecular Formula C8H16N2O2
Exact Mass 172.121178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CUmKP843OMn
Name SYN-3-(HYDROXYMETHYL)-3-(1'-HYDROXYBUTYL)-1-PYRAZOLINE;MAJOR_STEREOMER
Compound Number 38A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H16N2O2
InChI InChI=1S/C8H16N2O2/c1-2-3-7(12)8(6-11)4-5-9-10-8/h7,11-12H,2-6H2,1H3/t7-,8-/m0/s1
InChIKey KOXOISUQCGHADC-YUMQZZPRSA-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 172.227 g/mol
Solvent CDCl3
Source File Reference UWMZ2186