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(1S*,2R*,5S*,9R*)-2-Cyano-9-(2-phenyl-1-oxoethyl)bicyclo[3.3.1]non-7-ene
SpectraBase Compound ID JRuneRmchET
InChI InChI=1S/C18H19NO/c19-12-15-10-9-14-7-4-8-16(15)18(14)17(20)11-13-5-2-1-3-6-13/h1-6,8,14-16,18H,7,9-11H2/t14-,15+,16+,18-/m1/s1
InChIKey HUERTSHFJIPPSK-MUQADHOPSA-N
Mol Weight 265.36 g/mol
Molecular Formula C18H19NO
Exact Mass 265.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FoRmK357bgJ
Name (1S*,2R*,5S*,9R*)-2-Cyano-9-(2-phenyl-1-oxoethyl)bicyclo[3.3.1]non-7-ene
Alternate Name(s) (1S,2R,5S,9R)-9-(phenylacetyl)bicyclo[3.3.1]non-7-ene-2-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO
InChI InChI=1S/C18H19NO/c19-12-15-10-9-14-7-4-8-16(15)18(14)17(20)11-13-5-2-1-3-6-13/h1-6,8,14-16,18H,7,9-11H2/t14-,15+,16+,18-/m1/s1
InChIKey HUERTSHFJIPPSK-MUQADHOPSA-N
Molecular Weight 265.356 g/mol
SMILES C([C@]1([C@@]2([C@](C#N)(CC[C@]1(CC=C2)[H])[H])[H])[H])(Cc1ccccc1)=O
SPLASH splash10-00r6-9850000000-7ebcdd333d8886c532f0
Source of Spectrum C-115-5950-14
Wiley ID 1269261