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4-(2-METHYL-1-BUTEN-3-YN-4-YL)-BENZONITRILE
SpectraBase Compound ID HHsPFYmEZFQ
InChI InChI=1S/2C12H9N/c2*1-10(2)3-4-11-5-7-12(9-13)8-6-11/h2*5-8H,1H2,2H3
InChIKey VIUKPGNUTZONQH-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C24H18N2
Exact Mass 334.146999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EEi4XlAPnUD
Name 4-(2-METHYL-1-BUTEN-3-YN-4-YL)-BENZONITRILE
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H18N2
InChI InChI=1S/2C12H9N/c2*1-10(2)3-4-11-5-7-12(9-13)8-6-11/h2*5-8H,1H2,2H3
InChIKey VIUKPGNUTZONQH-UHFFFAOYSA-N
Literature Reference Author G.A.MOLANDER,B.W.KATONA,F.MACHROUHI
Literature Reference Citation J.ORG.CHEM.,67,8416(2002)
Literature Reference DOI 10.1021/jo0262356
Molecular Weight 334.420 g/mol
Solvent CDCl3
Source File Reference UWVN23666