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(1S,6S)-7-Cyano-8-(4'-cyano-1',3'-butadiynyl)-2-oxabicyclo[4.2.0]oct-7-ene
SpectraBase Compound ID HpKdofMUJtv
InChI InChI=1S/C13H8N2O/c14-7-3-1-2-5-10-12(9-15)11-6-4-8-16-13(10)11/h11,13H,4,6,8H2/t11-,13+/m0/s1
InChIKey KQIVAYCLQCHVGX-WCQYABFASA-N
Mol Weight 208.22 g/mol
Molecular Formula C13H8N2O
Exact Mass 208.063663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpOJTJvbUmS
Name (1S,6S)-7-Cyano-8-(4'-cyano-1',3'-butadiynyl)-2-oxabicyclo[4.2.0]oct-7-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8N2O
InChI InChI=1S/C13H8N2O/c14-7-3-1-2-5-10-12(9-15)11-6-4-8-16-13(10)11/h11,13H,4,6,8H2/t11-,13+/m0/s1
InChIKey KQIVAYCLQCHVGX-WCQYABFASA-N
Molecular Weight 208.220 g/mol
SMILES C1(=C(C#N)[C@]2([C@@]1(OCCC2)[H])[H])C#CC#CC#N
SPLASH splash10-001i-9210000000-bd2597eafd5d2ddea90d
Source of Spectrum U1-1999-2499-30
Synonyms (1S,6S)-8-(4-cyano-1,3-butadiynyl)-2-oxabicyclo[4.2.0]oct-7-ene-7-carbonitrile 7-Cyano-8-(4'-cyano-1',3'-butadiynyl)-2-oxabicyclo[4.2.0]oct-7-ene
Wiley ID 753681