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2-Allyl-4-ethyl-2-phenylhexanitrile
SpectraBase Compound ID IbHbIAl4dUv
InChI InChI=1S/C17H23N/c1-4-12-17(14-18,13-15(5-2)6-3)16-10-8-7-9-11-16/h4,7-11,15H,1,5-6,12-13H2,2-3H3
InChIKey RBKJQZQLGKPOGU-UHFFFAOYSA-N
Mol Weight 241.38 g/mol
Molecular Formula C17H23N
Exact Mass 241.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6CDWQJEyeK
Name 2-Allyl-4-ethyl-2-phenylhexanitrile
Appearance Yellow oil
Carrier Gas Helium
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Exact Mass 241.183049745 u
Formula C17H23N
GC Oven Program Oven temp 300oC
InChI InChI=1S/C17H23N/c1-4-12-17(14-18,13-15(5-2)6-3)16-10-8-7-9-11-16/h4,7-11,15H,1,5-6,12-13H2,2-3H3
InChIKey RBKJQZQLGKPOGU-UHFFFAOYSA-N
Instrument Name Micromass GCT
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801462
Molecular Weight 241.378 g/mol
Quality 158
Reported Formula C17H23N
SMILES C1=CC(=CC=C1)C(CC=C)(C#N)CC(CC)CC
SPLASH splash10-001i-1920000000-d74cde6ffeb54ad84b6f
Source of Spectrum K1-2018-7043-5d (DOI: 10.1002/ejoc.201801462)
Wiley ID 1897036