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RAC-1-CYANOACETYL-5-HYDROXY-3-METHYL-5-ETHOXYCARBONYL-4,5-DIHYDRO-1H-PYRAZOLE
SpectraBase Compound ID 96ONQMWHi4R
InChI InChI=1S/C10H13N3O4/c1-3-17-9(15)10(16)6-7(2)12-13(10)8(14)4-5-11/h16H,3-4,6H2,1-2H3
InChIKey FXNXLINURCRNSY-UHFFFAOYSA-N
Mol Weight 239.23 g/mol
Molecular Formula C10H13N3O4
Exact Mass 239.090606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AUBOB4o922M
Name RAC-1-CYANOACETYL-5-HYDROXY-3-METHYL-5-ETHOXYCARBONYL-4,5-DIHYDRO-1H-PYRAZOLE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H13N3O4
InChI InChI=1S/C10H13N3O4/c1-3-17-9(15)10(16)6-7(2)12-13(10)8(14)4-5-11/h16H,3-4,6H2,1-2H3
InChIKey FXNXLINURCRNSY-UHFFFAOYSA-N
Literature Reference Author D.N.MOREIRA,C.P.FRIZZO,.LONGHI,N.ZANATTA,H.G.BONACORSO,M.A.P .MARTINS
Literature Reference Citation MH.CHEM.,139,1049(2008)
Literature Reference DOI 10.1007/s00706-008-0874-8
Molecular Weight 239.231 g/mol
Sample ID 40034
Solvent CDCl3