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1-Cyano-3-methyl-1,3-cyclohexadiene
SpectraBase Compound ID E51Lr5a62pM
InChI InChI=1S/C8H9N/c1-7-3-2-4-8(5-7)6-9/h3,5H,2,4H2,1H3
InChIKey GTAFYYTVTGEIDA-UHFFFAOYSA-N
Mol Weight 119.17 g/mol
Molecular Formula C8H9N
Exact Mass 119.073499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hAWsccXEVU
Name 3-Methyl-1-cyclohexa-1,3-dienecarbonitrile
CAS Registry Number 109240-06-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9N
InChI InChI=1S/C8H9N/c1-7-3-2-4-8(5-7)6-9/h3,5H,2,4H2,1H3
InChIKey GTAFYYTVTGEIDA-UHFFFAOYSA-N
Molecular Weight 119.167 g/mol
SMILES C(#N)C1=CC(C)=CCC1
SPLASH splash10-0gb9-0900000000-d4cd412ada8a8fdabc44
Source of Spectrum F-42-3883-21
Synonyms 3-Methylcyclohexa-1,3-diene-1-carbonitrile
Wiley ID 1126922