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Bicyclo[8.2.2]tetradeca-5,10,12,13-tetraene-4,7-dicarbonitrile, (4R*,5E,7S*)-
SpectraBase Compound ID Lq2yuurmxCi
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-/m0/s1
InChIKey JWVOZISCNSCLRC-VNEPOGMYSA-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 DBhdQntToY7
Name Bicyclo[8.2.2]tetradeca-5,10,12,13-tetraene-4,7-dicarbonitrile, (4R*,5E,7S*)-
CAS Registry Number 50896-13-4
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-/m0/s1
InChIKey JWVOZISCNSCLRC-VNEPOGMYSA-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-1910000000-195893e7f4a6d02e7609
Source of Spectrum W5-20333-0-0
Synonyms 4,7-Dicyano-bicyclo[8.2.2]tetradeca-5-trans,10,12,13-tetraene (4S,7S)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene-4,7-dicarbonitrile Bicyclo[8.2.2]tetradeca-5,10,12,13-tetraene-4,7-dicarbonitrile, (4r@,5E,7s@)-
Wiley ID 1238964