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DL-Tetracyclo[4.2.0.0(2,4).0(3,5)]oct-7-ene-7-carbonitrile
SpectraBase Compound ID FFxWUAQS6zG
InChI InChI=1S/C9H7N/c10-2-3-1-4-5(3)7-8-6(4)9(7)8/h1,4-9H/t4-,5+,6-,7+,8-,9+/m0/s1
InChIKey UNQHYKYQAJCNGG-XMUCANLBSA-N
Mol Weight 129.16 g/mol
Molecular Formula C9H7N
Exact Mass 129.057849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fc9j1YNQcew
Name DL-Tetracyclo[4.2.0.0(2,4).0(3,5)]oct-7-ene-7-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N
InChI InChI=1S/C9H7N/c10-2-3-1-4-5(3)7-8-6(4)9(7)8/h1,4-9H/t4-,5+,6-,7+,8-,9+/m0/s1
InChIKey UNQHYKYQAJCNGG-XMUCANLBSA-N
Literature Reference DOI 10.1002/cber.19911240814
Molecular Weight 129.162 g/mol
SMILES [C@]12([C@@]([C@]3([C@@]4([C@]3([C@]14[H])[H])[H])[H])(C=C2C#N)[H])[H]
SPLASH splash10-0fb9-9400000000-2aa05ac47f032965f468
Source of Spectrum K-124-1769-27
Synonyms Tetracyclo[4.2.0.0(2,4).0(3,5)]oct-7-ene-7-carbonitrile
Wiley ID 1794575