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2-(2-(2-Methylallyl)cyclobut-1-en-1-yl)benzonitrile
SpectraBase Compound ID CYKepuEXNc6
InChI InChI=1S/C15H15N/c1-11(2)9-12-7-8-15(12)14-6-4-3-5-13(14)10-16/h3-6H,1,7-9H2,2H3
InChIKey ZRYXZIQBRHCDMC-UHFFFAOYSA-N
Mol Weight 209.29 g/mol
Molecular Formula C15H15N
Exact Mass 209.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASkHPOuJ8IS
Name 2-(2-(2-Methylallyl)cyclobut-1-en-1-yl)benzonitrile
Appearance Pale yellow oil
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Formula C15H15N
InChI InChI=1S/C15H15N/c1-11(2)9-12-7-8-15(12)14-6-4-3-5-13(14)10-16/h3-6H,1,7-9H2,2H3
InChIKey ZRYXZIQBRHCDMC-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201604585
Molecular Weight 209.292 g/mol
Quality 129
Reported Formula C15H15N
SMILES CC(CC1=C(CC1)C1=C(C=CC=C1)C#N)=C
SPLASH splash10-0006-0910000000-03ef02bf194fa45e8a76
Source of Spectrum QE-23-SM41-21h (DOI: 10.1002/chem.201604585)
Thin-Layer Chromatography 0.5 (hexane/EtOAc, 9:1, UV, KMnO4, PAA)
Wiley ID 1903895