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3-(2,4-CYCLOHEXADIEN-1-YL)-1,1,2,2-CYCLOPROPANTETRACARBONITRILE
SpectraBase Compound ID FslGvzc1fjc
InChI InChI=1S/C13H8N4/c14-6-12(7-15)11(13(12,8-16)9-17)10-4-2-1-3-5-10/h1-4,10-11H,5H2
InChIKey PVYRAAFGBSYKHV-UHFFFAOYSA-N
Mol Weight 220.23 g/mol
Molecular Formula C13H8N4
Exact Mass 220.074896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqUcnrOEX2N
Name (2',4'-Cyclohexadien-1'-yl)-1,1,2,2-cyclopropanetetracarbonitrile)
CAS Registry Number 23767-79-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8N4
InChI InChI=1S/C13H8N4/c14-6-12(7-15)11(13(12,8-16)9-17)10-4-2-1-3-5-10/h1-4,10-11H,5H2
InChIKey PVYRAAFGBSYKHV-UHFFFAOYSA-N
Molecular Weight 220.235 g/mol
SMILES C1(C(C#N)(C#N)C1C1C=CC=CC1)(C#N)C#N
SPLASH splash10-004i-9000000000-b53d7e9c67e5fa263beb
Source of Spectrum K-123-1216-5
Wiley ID 1219802