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3-CYANO-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC-ACID-ETHYLESTER
SpectraBase Compound ID 5aixN6ZLKsA
InChI InChI=1S/C13H11N3O2/c1-2-18-13(17)11-9-16(15-12(11)8-14)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3
InChIKey KHVUGNIHWWMAPM-UHFFFAOYSA-N
Mol Weight 241.25 g/mol
Molecular Formula C13H11N3O2
Exact Mass 241.085127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2lZlcXWC9z
Name 3-CYANO-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC-ACID-ETHYLESTER
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11N3O2
InChI InChI=1S/C13H11N3O2/c1-2-18-13(17)11-9-16(15-12(11)8-14)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3
InChIKey KHVUGNIHWWMAPM-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 241.249 g/mol
Solvent Unknown
Source File Reference WANG1647