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[2-(13)C]-3-METHYL-5-(2',6',6'-TRIMETHYL-1'-CYCLOHEXEN-1'-YL)-2,4-PENTADIENENITRILE

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[2-(13)C]-3-METHYL-5-(2',6',6'-TRIMETHYL-1'-CYCLOHEXEN-1'-YL)-2,4-PENTADIENENITRILE
SpectraBase Compound ID DgO4EPw750C
InChI InChI=1S/C15H21N/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h7-9H,5-6,10H2,1-4H3/b8-7+,12-9+/i9+1
InChIKey YOYODHNOTKUUDY-LOBMJLJNSA-N
Mol Weight 216.33 g/mol
Molecular Formula C1413CH21N
Exact Mass 216.170755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 162jy3D2i1V
Name [2-(13)C]-3-METHYL-5-(2',6',6'-TRIMETHYL-1'-CYCLOHEXEN-1'-YL)-2,4-PENTADIENENITRILE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C1413CH21N
InChI InChI=1S/C15H21N/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h7-9H,5-6,10H2,1-4H3/b8-7+,12-9+/i9+1
InChIKey YOYODHNOTKUUDY-LOBMJLJNSA-N
Literature Reference Author P.J.E.VERDEGEM,M.C.F.MONNEE,J.LUGTENBURG
Literature Reference Citation J.ORG.CHEM.,66,1269(2001)
Literature Reference DOI 10.1021/jo0009595
Molecular Weight 216.331 g/mol
Solvent CDCl3
Source File Reference UWLU26120