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2-Butenenitrile, 3-[3-(bicyclo[2.2.1]hept-2-ylcarbonyl)bicyclo[2.2.1]hept-2-yl]-, [1.alpha.,2.alpha.(Z),3.alpha.(1R*,2S*,4R),4.alpha.]-
SpectraBase Compound ID 9AKpijvQdW0
InChI InChI=1S/C19H25NO/c1-11(6-7-20)17-14-4-5-15(10-14)18(17)19(21)16-9-12-2-3-13(16)8-12/h6,12-18H,2-5,8-10H2,1H3/b11-6-/t12?,13?,14-,15+,16?,17+,18-/m1/s1
InChIKey XCCHAQFRECLTAC-GXPPVTMZSA-N
Mol Weight 283.41 g/mol
Molecular Formula C19H25NO
Exact Mass 283.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3z7Xo96k4g3
Name 2-Butenenitrile, 3-[3-(bicyclo[2.2.1]hept-2-ylcarbonyl)bicyclo[2.2.1]hept-2-yl]-, [1.alpha.,2.alpha.(Z),3.alpha.(1R*,2S*,4R),4.alpha.]-
Alternate Name(s) (2Z)-3-[(1S,2S,3R,4S)-3-(bicyclo[2.2.1]hept-2-ylcarbonyl)bicyclo[2.2.1]hept-2-yl]-2-butenenitrile [exo-((1'')-2''-cyano-1''-methylvinyl)-norbornan-2-yl]-[norbornan-2'exo-yl]ketone [exo-((1'')-2''-Cyano-1''-methylvinyl)-norbornan-2-yl]-[norbornan-2'exo-yl]ketone
CAS Registry Number 67401-07-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO
InChI InChI=1S/C19H25NO/c1-11(6-7-20)17-14-4-5-15(10-14)18(17)19(21)16-9-12-2-3-13(16)8-12/h6,12-18H,2-5,8-10H2,1H3/b11-6-/t12?,13?,14-,15+,16?,17+,18-/m1/s1
InChIKey XCCHAQFRECLTAC-GXPPVTMZSA-N
Molecular Weight 283.415 g/mol
SMILES C([C@@]1([C@@]2(C[C@]([C@@]1(\C(=C/C#N)C)[H])(CC2)[H])[H])[H])(C1C2CC(C1)CC2)=O
SPLASH splash10-014i-9000000000-2141eb9f55b49e902563
Source of Spectrum H-61-1439-0
Wiley ID 1287214