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AUKBXEXXRXJYMW-UHFFFAOYSA-N
SpectraBase Compound ID 8tXeRvjuctD
InChI InChI=1S/C12H11N3O/c1-15-12(16-2)10(8-13)11(14-15)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey AUKBXEXXRXJYMW-UHFFFAOYSA-N
Mol Weight 213.24 g/mol
Molecular Formula C12H11N3O
Exact Mass 213.090212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HWfHjYn2Yqq
Name 4-CYANO-5-METHOXY-1-METHYL-3-PHENYLPYRAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11N3O
InChI InChI=1S/C12H11N3O/c1-15-12(16-2)10(8-13)11(14-15)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey AUKBXEXXRXJYMW-UHFFFAOYSA-N
Literature Reference Author J.BECHER,P.L.JORGENSEN,K.PLUTA,N.J.KRAKE,B.FAELT-HANSEN
Literature Reference Citation J.ORG.CHEM.,57,2127(1992)
Literature Reference DOI 10.1021/jo00033a039
Molecular Weight 213.239 g/mol
Solvent DMSO-D6
Source File Reference UWCS1993