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3-Cyano-1-methyl-1H-pyrazole-4-carboxylic acid, E thyl ester

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3-Cyano-1-methyl-1H-pyrazole-4-carboxylic acid, E thyl ester
SpectraBase Compound ID AKSh5kr2sw2
InChI InChI=1S/C8H9N3O2/c1-3-13-8(12)6-5-11(2)10-7(6)4-9/h5H,3H2,1-2H3
InChIKey QKNYVMDCPWVHMB-UHFFFAOYSA-N
Mol Weight 179.18 g/mol
Molecular Formula C8H9N3O2
Exact Mass 179.069477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Nv1hL1CTFO
Name QKNYVMDCPWVHMB-UHFFFAOYSA-N
Compound Number 255
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9N3O2
InChI InChI=1S/C8H9N3O2/c1-3-13-8(12)6-5-11(2)10-7(6)4-9/h5H,3H2,1-2H3
InChIKey QKNYVMDCPWVHMB-UHFFFAOYSA-N
Literature Reference Author M.BEGTRUP,G.BOYER,P.CABILDO,C.CATIVIELA,R.M.CLARAMUNT,J.ELGU ERO,J.I.GARCIA,C.TOI
Literature Reference Citation MAGN.RES.CHEM.,31,107(1993)
Literature Reference DOI 10.1002/mrc.1260310202
Molecular Weight 179.178 g/mol
Solvent CDCl3
Source File Reference UWVP1279