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9-TRANS-11-C(13)-BETA-IONOLYLACETONITRILE;(2E,4E)-1-C(13)-3-METHYL-5-(2,6,6-TRIMETHYL-1-CYCLOHEXENYL)-2,4-PENTADIENNITRILE

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9-TRANS-11-C(13)-BETA-IONOLYLACETONITRILE;(2E,4E)-1-C(13)-3-METHYL-5-(2,6,6-TRIMETHYL-1-CYCLOHEXENYL)-2,4-PENTADIENNITRILE
SpectraBase Compound ID JTtWHqvDY5P
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+/i11+1
InChIKey YOYODHNOTKUUDY-JGYOVDGHSA-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 JG0YDOorZoU
Name 9-TRANS-11-C(13)-BETA-IONOLYLACETONITRILE;(2E,4E)-1-C(13)-3-METHYL-5-(2,6,6-TRIMETHYL-1-CYCLOHEXENYL)-2,4-PENTADIENNITRILE
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+/i11+1
InChIKey YOYODHNOTKUUDY-JGYOVDGHSA-N
Literature Reference Author J.A.PARDOEN,H.N.NEIJENESCH,P.P.J.MULDER,J.LUGTENBURG
Literature Reference Citation REC.TR.CH.P.-B.,102,341(1983)
Literature Reference DOI 10.1002/recl.19831020701
Molecular Weight 216.331 g/mol
Solvent CDCl3
Source File Reference UWCS7147