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4-(ETHOXYCARBONYL)-5-ISOBUTYL-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC-ACID
SpectraBase Compound ID 7HPy1IJKIoC
InChI InChI=1S/C12H18N2O4/c1-5-18-12(17)9-8(6-7(2)3)14(4)13-10(9)11(15)16/h7H,5-6H2,1-4H3,(H,15,16)
InChIKey NOTCBPNEQGKKNT-UHFFFAOYSA-N
Mol Weight 254.29 g/mol
Molecular Formula C12H18N2O4
Exact Mass 254.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HxjLDSwEzlK
Name 4-(ETHOXYCARBONYL)-5-ISOBUTYL-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC-ACID
Compound Number 12L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18N2O4
InChI InChI=1S/C12H18N2O4/c1-5-18-12(17)9-8(6-7(2)3)14(4)13-10(9)11(15)16/h7H,5-6H2,1-4H3,(H,15,16)
InChIKey NOTCBPNEQGKKNT-UHFFFAOYSA-N
Literature Reference Author C.F.MORELLI,A.SALADINO,G.SPERANZA,P.MANITTO
Literature Reference Citation EUR.J.ORG.CHEM.,4621(2005)
Molecular Weight 254.286 g/mol
Sample ID 30577
Solvent CDCl3