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2-(Cyclohex-2-en-1-yl)-3,7-dimethylocta-2,6-dienenitrile
SpectraBase Compound ID D8k1elHCKJs
InChI InChI=1S/C16H23N/c1-13(2)8-7-9-14(3)16(12-17)15-10-5-4-6-11-15/h5,8,10,15H,4,6-7,9,11H2,1-3H3
InChIKey YHBKITZGKDVIHP-UHFFFAOYSA-N
Mol Weight 229.37 g/mol
Molecular Formula C16H23N
Exact Mass 229.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RG41HDquO
Name 2-(Cyclohex-2-en-1-yl)-3,7-dimethylocta-2,6-dienenitrile
Appearance Yellow oil
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Formula C16H23N
InChI InChI=1S/C16H23N/c1-13(2)8-7-9-14(3)16(12-17)15-10-5-4-6-11-15/h5,8,10,15H,4,6-7,9,11H2,1-3H3
InChIKey YHBKITZGKDVIHP-UHFFFAOYSA-N
Instrument Name Finnigan MAT95Q/Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202012085
Molecular Weight 229.367 g/mol
Reported Formula C16H23N
SMILES C1(C=CCCC1)C(C#N)=C(CCC=C(C)C)C
SPLASH splash10-06si-1910000000-918aa0ba726559967abc
Sample Comments Z/E = 52:48
Source of Spectrum ACI-60-SM45-10ae
Wiley ID 1880379