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Cyclohexaneacetonitrile, 2-hydroxy-1-(3-methoxyphenyl)-, cis-
SpectraBase Compound ID FMcBQ7tQZYp
InChI InChI=1S/C15H19NO2/c1-18-13-6-4-5-12(11-13)15(9-10-16)8-3-2-7-14(15)17/h4-6,11,14,17H,2-3,7-9H2,1H3/t14-,15+/m1/s1
InChIKey YYRMDNCSBWWQPL-CABCVRRESA-N
Mol Weight 245.32 g/mol
Molecular Formula C15H19NO2
Exact Mass 245.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJXwZKRYfwz
Name Cyclohexaneacetonitrile, 2-hydroxy-1-(3-methoxyphenyl)-, cis-
Alternate Name(s) [(1S,2R)-2-hydroxy-1-(3-methoxyphenyl)cyclohexyl]acetonitrile [2.alpha.(a)-hydroxy-1-(m-methoxyphenyl)-1.beta.(a)-cyclohexyl]acetonitrile
CAS Registry Number 86446-24-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO2
InChI InChI=1S/C15H19NO2/c1-18-13-6-4-5-12(11-13)15(9-10-16)8-3-2-7-14(15)17/h4-6,11,14,17H,2-3,7-9H2,1H3/t14-,15+/m1/s1
InChIKey YYRMDNCSBWWQPL-CABCVRRESA-N
Molecular Weight 245.322 g/mol
SMILES O[C@]1([C@](c2cc(OC)ccc2)(CC#N)CCCC1)[H]
SPLASH splash10-006t-0950000000-999b61e2ae8757679f7b
Source of Spectrum H-66-579-0
Wiley ID 1248094