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4-[(TERT.-BUTOXY)-CARBONYL]-4,5-DIHYDRO-3-(2-HYDROXYETHOXY)-1,1-DIMETHYL-5-OXO-1H-PYRAZOLO-1-IUM-4-IDE
SpectraBase Compound ID CH4fojzIV8L
InChI InChI=1S/C12H21N2O5/c1-12(2,3)19-11(17)8-9(18-7-6-15)13-14(4,5)10(8)16/h8,15H,6-7H2,1-5H3/q+1
InChIKey XYYNRBRAUFNPNR-UHFFFAOYSA-N
Mol Weight 273.31 g/mol
Molecular Formula C12H21N2O5
Exact Mass 273.145047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID c3KZqEUlr9
Name 4-[(TERT.-BUTOXY)-CARBONYL]-4,5-DIHYDRO-3-(2-HYDROXYETHOXY)-1,1-DIMETHYL-5-OXO-1H-PYRAZOLO-1-IUM-4-IDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H21N2O5
InChI InChI=1S/C12H21N2O5/c1-12(2,3)19-11(17)8-9(18-7-6-15)13-14(4,5)10(8)16/h8,15H,6-7H2,1-5H3/q+1
InChIKey XYYNRBRAUFNPNR-UHFFFAOYSA-N
Literature Reference Author R.NEIDLEIN,G.SCHROEDER,C.KRIEGER,D.KIKELJ
Literature Reference Citation HELV.CHIM.ACTA,75,1039(1992)
Literature Reference DOI 10.1002/hlca.19920750407
Molecular Weight 273.309 g/mol
Solvent CDCl3
Source File Reference UWCS8820