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bicyclo[2.2.2]octa-2,5-diene-6-carbonitrile
SpectraBase Compound ID 7iklqXEt9NY
InChI InChI=1S/C9H9N/c10-6-9-5-7-1-3-8(9)4-2-7/h1,3,5,7-8H,2,4H2/t7-,8+/m1/s1
InChIKey ZEKPAKWFJGJPSB-UHFFFAOYSA-N
Mol Weight 131.18 g/mol
Molecular Formula C9H9N
Exact Mass 131.073499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUPzGzn5iRR
Name Bicyclo[2.2.2]octa-2,5-diene-2-carbonitrile
CAS Registry Number 39863-23-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N
InChI InChI=1S/C9H9N/c10-6-9-5-7-1-3-8(9)4-2-7/h1,3,5,7-8H,2,4H2/t7-,8+/m1/s1
InChIKey ZEKPAKWFJGJPSB-UHFFFAOYSA-N
Molecular Weight 131.178 g/mol
SMILES C1(=C[C@@]2(C=C[C@]1(CC2)[H])[H])C#N
SPLASH splash10-0udi-2900000000-246c1dfb26e0b3d7fd8c
Source of Spectrum U-1995-615-3
Synonyms 3-bicyclo[2.2.2]octa-2,5-dienecarbonitrile bicyclo[2.2.2]octa-2,5-diene-3-carbonitrile
Wiley ID 766599