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Bicyclo[8.2.2]tetradeca-5,10,12,13-tetraene-4,7-dicarbonitrile, (4R*,5E,7R*)-
SpectraBase Compound ID 9adWBRdJKSx
InChI InChI=1S/C16H16N2/c17-11-15-7-5-13-1-2-14(4-3-13)6-8-16(12-18)10-9-15/h1-4,9-10,15-16H,5-8H2/b10-9-/t15-,16+
InChIKey JWVOZISCNSCLRC-YQYKAEFUSA-N
Mol Weight 236.32 g/mol
Molecular Formula C16H16N2
Exact Mass 236.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8di3pVYJ3dA
Name Bicyclo[8.2.2]tetradeca-5,10,12,13-tetraene-4,7-dicarbonitrile, (4R*,5E,7R*)-
Alternate Name(s) (4R,7S)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene-4,7-dicarbonitrile 4,7-Dicyano-bicyclo[8.2.2]tetradeca-5-cis,10,12,13-tetraene
CAS Registry Number 50703-39-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2
InChI InChI=1S/C16H16N2/c17-11-15-7-5-13-1-2-14(4-3-13)6-8-16(12-18)10-9-15/h1-4,9-10,15-16H,5-8H2/b10-9-/t15-,16+
InChIKey JWVOZISCNSCLRC-YQYKAEFUSA-N
Molecular Weight 236.318 g/mol
SMILES C(#N)[C@]1(\C=C/[C@@](C#N)(CCc2ccc(CC1)cc2)[H])[H]
SPLASH splash10-014i-1910000000-a0c0b9839c55f2bcffa4
Source of Spectrum C-100-1812-0
Wiley ID 1238961