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3-(2-(2-Methylallyl)cyclobut-1-en-1-yl)benzaldehyde
SpectraBase Compound ID ESrrEJ0R72
InChI InChI=1S/C15H16O/c1-11(2)8-14-6-7-15(14)13-5-3-4-12(9-13)10-16/h3-5,9-10H,1,6-8H2,2H3
InChIKey VHWMOXOPZGQPSR-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C15H16O
Exact Mass 212.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JcJnmk3naVc
Name 3-(2-(2-Methylallyl)cyclobut-1-en-1-yl)benzaldehyde
Appearance Pale yellow oil
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Exact Mass 212.120115134 u
Formula C15H16O
InChI InChI=1S/C15H16O/c1-11(2)8-14-6-7-15(14)13-5-3-4-12(9-13)10-16/h3-5,9-10H,1,6-8H2,2H3
InChIKey VHWMOXOPZGQPSR-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 212.292 g/mol
Quality 282
Reported Formula C15H16O
SMILES CC(CC1=C(CC1)C=1C=C(C=CC1)C=O)=C
SPLASH splash10-016u-3900000000-3aa931e9c62fa245a9df
Source of Spectrum QE-23-SM31-19i (DOI: 10.1002/chem.201604585)
Thin-Layer Chromatography 0.6 (hexane/EtOAc, 9:1, UV, KMnO4, PAA)
Wiley ID 1903879