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3-CYANO-5-METHYL-1H-PYRAZOLE-4-CARBOXYLIC-ACID-ETHYLESTER
SpectraBase Compound ID Qg39dBWGSC
InChI InChI=1S/C8H9N3O2/c1-3-13-8(12)7-5(2)10-11-6(7)4-9/h3H2,1-2H3,(H,10,11)
InChIKey LFGPNHISNUXIAK-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 8KCKATQSGvc
Name 3-CYANO-5-METHYL-1H-PYRAZOLE-4-CARBOXYLIC-ACID-ETHYLESTER
Compound Number 17A
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)7-5(2)10-11-6(7)4-9/h3H2,1-2H3,(H,10,11)
InChIKey LFGPNHISNUXIAK-UHFFFAOYSA-N
Literature Reference Author R.L.ROBEY,C.A.ALT,E.E.VANMETER
Literature Reference Citation J.HETCYCL.CHEM.,34,413(1997)
Literature Reference DOI 10.1002/jhet.5570340210
Molecular Weight 179.178 g/mol
Solvent Unknown
Source File Reference WANG1651