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3-[2-Hydroxy-2-(1-phenyl-allyl)-cyclohexyl]-propionitrile
SpectraBase Compound ID E4UkdfB5yJJ
InChI InChI=1S/C18H23NO/c1-2-17(15-9-4-3-5-10-15)18(20)13-7-6-11-16(18)12-8-14-19/h2-5,9-10,16-17,20H,1,6-8,11-13H2/t16-,17-,18-/m0/s1
InChIKey JMTVCHAIQLPOCN-BZSNNMDCSA-N
Mol Weight 269.39 g/mol
Molecular Formula C18H23NO
Exact Mass 269.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGjDPdxPwiy
Name 3-[2-Hydroxy-2-(1-phenyl-allyl)-cyclohexyl]-propionitrile
Alternate Name(s) 3-((1S,2S)-2-hydroxy-2-((S)-1-phenylallyl)cyclohexyl)propanenitrile
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Formula C18H23NO
InChI InChI=1S/C18H23NO/c1-2-17(15-9-4-3-5-10-15)18(20)13-7-6-11-16(18)12-8-14-19/h2-5,9-10,16-17,20H,1,6-8,11-13H2/t16-,17-,18-/m0/s1
InChIKey JMTVCHAIQLPOCN-BZSNNMDCSA-N
Literature Reference DOI 10.1021/ol702607t
Molecular Weight 269.388 g/mol
SMILES O[C@]1(CCCC[C@]1(CCC#N)[H])[C@](c1ccccc1)(C=C)[H]
SPLASH splash10-0uk9-0090000000-02765ef8a9ef056805d0
Source of Spectrum A1-10-117/SMS6-3g
Wiley ID 1758949