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2-(Cyclohexyl(hydroxy)methyl)-3,7-dimethylocta-2,6-dienenitrile
SpectraBase Compound ID 3rpbyQUK1Qv
InChI InChI=1S/C17H27NO/c1-13(2)8-7-9-14(3)16(12-18)17(19)15-10-5-4-6-11-15/h8,15,17,19H,4-7,9-11H2,1-3H3
InChIKey VFQDJAWPSFPHQG-UHFFFAOYSA-N
Mol Weight 261.41 g/mol
Molecular Formula C17H27NO
Exact Mass 261.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SAxoCRG0P4
Name 2-(Cyclohexyl(hydroxy)methyl)-3,7-dimethylocta-2,6-dienenitrile
Appearance Orange oil
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Formula C17H27NO
InChI InChI=1S/C17H27NO/c1-13(2)8-7-9-14(3)16(12-18)17(19)15-10-5-4-6-11-15/h8,15,17,19H,4-7,9-11H2,1-3H3
InChIKey VFQDJAWPSFPHQG-UHFFFAOYSA-N
Instrument Name Finnigan MAT95Q/Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202012085
Molecular Weight 261.409 g/mol
Reported Formula C17H27NO
SMILES OC(C1CCCCC1)C(C#N)=C(CCC=C(C)C)C
SPLASH splash10-0006-9000000000-78d49165243b88186c3e
Sample Comments Z/E = 64:36
Source of Spectrum ACI-60-SM33-10al
Wiley ID 1880380