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SYN-3-CARBOMETHOXY-3-(1'-HYDROXY-2'-METHYLPROPYL)-1-PYRAZOLINE
SpectraBase Compound ID AsaFqh5KNw3
InChI InChI=1S/C9H16N2O3/c1-6(2)7(12)9(8(13)14-3)4-5-10-11-9/h6-7,12H,4-5H2,1-3H3/t7-,9+/m0/s1
InChIKey XJGAZBGHMJMNAN-IONNQARKSA-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 4nxHaXGT7dI
Name SYN-3-CARBOMETHOXY-3-(1'-HYDROXY-2'-METHYLPROPYL)-1-PYRAZOLINE
Compound Number 27A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16N2O3
InChI InChI=1S/C9H16N2O3/c1-6(2)7(12)9(8(13)14-3)4-5-10-11-9/h6-7,12H,4-5H2,1-3H3/t7-,9+/m0/s1
InChIKey XJGAZBGHMJMNAN-IONNQARKSA-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 UWMZ2169