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SYN-3-CARBOMETHOXY-3-(1'-ACETOXY-1'-PHENYLMETHYL)-1-PYRAZOLINE;MAJOR_STEREOMER
SpectraBase Compound ID 3dmTCJC07FP
InChI InChI=1S/C14H16N2O4/c1-10(17)20-12(11-6-4-3-5-7-11)14(13(18)19-2)8-9-15-16-14/h3-7,12H,8-9H2,1-2H3/t12-,14+/m1/s1
InChIKey LUZURBWYYYLRMC-OCCSQVGLSA-N
Mol Weight 276.29 g/mol
Molecular Formula C14H16N2O4
Exact Mass 276.111007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dkyk45l7oNC
Name SYN-3-CARBOMETHOXY-3-(1'-ACETOXY-1'-PHENYLMETHYL)-1-PYRAZOLINE;MAJOR_STEREOMER
Compound Number 35A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16N2O4
InChI InChI=1S/C14H16N2O4/c1-10(17)20-12(11-6-4-3-5-7-11)14(13(18)19-2)8-9-15-16-14/h3-7,12H,8-9H2,1-2H3/t12-,14+/m1/s1
InChIKey LUZURBWYYYLRMC-OCCSQVGLSA-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 276.292 g/mol
Solvent CDCl3
Source File Reference UWMZ2184