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2-Butenenitrile, 3-[3-(bicyclo[2.2.1]hept-5-en-2-ylcarbonyl)bicyclo[2.2.1]hept-5-en-2- yl]-, [1.alpha.,2.alpha.(Z),3.alpha.(1R*,2S*,4R),4.alpha.]-
SpectraBase Compound ID ECsm02CxlqG
InChI InChI=1S/C19H21NO/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/h2-6,12-18H,8-10H2,1H3/b11-6-/t12?,13?,14-,15+,16?,17+,18-/m1/s1
InChIKey FSAMEVSDYQKAMS-GXPPVTMZSA-N
Mol Weight 279.38 g/mol
Molecular Formula C19H21NO
Exact Mass 279.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnRS5pk98Fb
Name 2-Butenenitrile, 3-[3-(bicyclo[2.2.1]hept-5-en-2-ylcarbonyl)bicyclo[2.2.1]hept-5-en-2- yl]-, [1.alpha.,2.alpha.(Z),3.alpha.(1R*,2S*,4R),4.alpha.]-
CAS Registry Number 67401-06-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO
InChI InChI=1S/C19H21NO/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/h2-6,12-18H,8-10H2,1H3/b11-6-/t12?,13?,14-,15+,16?,17+,18-/m1/s1
InChIKey FSAMEVSDYQKAMS-GXPPVTMZSA-N
Molecular Weight 279.383 g/mol
SMILES C([C@@]1([C@]2(C=C[C@]([C@@]1(\C(=C/C#N)C)[H])([H])C2)[H])[H])(C1C2C=CC(C1)C2)=O
SPLASH splash10-014j-9510000000-b55ec7b030ea9e726cc6
Source of Spectrum H-61-1439-0
Synonyms (2Z)-3-[(1R,2S,3R,4R)-3-(bicyclo[2.2.1]hept-5-en-2-ylcarbonyl)bicyclo[2.2.1]hept-5-en-2-yl]-2-butenenitrile [3exo-(1''Z)-2''-cyano-1''-methylvinyl)-5-norbornen-2exo-yl]-(5'-norbornen-2'exo-yl)-ketone [3exo-(1''Z)-2''-Cyano-1''-methylvinyl)-5-norbornen-2exo-yl]-(5'-norbornen-2'exo-yl)-ketone
Wiley ID 1283229