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((2-(2-Methylallyl)cyclobut-1-en-1-yl)ethynyl)benzene
SpectraBase Compound ID LJQHKjm4ACn
InChI InChI=1S/C16H16/c1-13(2)12-16-11-10-15(16)9-8-14-6-4-3-5-7-14/h3-7H,1,10-12H2,2H3
InChIKey YOVOCQMHYLFADM-UHFFFAOYSA-N
Mol Weight 208.3 g/mol
Molecular Formula C16H16
Exact Mass 208.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xNIpT307r6
Name ((2-(2-Methylallyl)cyclobut-1-en-1-yl)ethynyl)benzene
Appearance Pale yellowish oil
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Exact Mass 208.125200515 u
Formula C16H16
InChI InChI=1S/C16H16/c1-13(2)12-16-11-10-15(16)9-8-14-6-4-3-5-7-14/h3-7H,1,10-12H2,2H3
InChIKey YOVOCQMHYLFADM-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 208.304 g/mol
Quality 165
Reported Formula C16H16
SMILES CC(CC1=C(CC1)C#CC1=CC=CC=C1)=C
SPLASH splash10-00or-0900000000-1189ce8eb3aa4a9bee3d
Source of Spectrum QE-23-SM43-22a (DOI: 10.1002/chem.201604585)
Thin-Layer Chromatography 0.7 (hexane, UV, KMnO4, PAA)
Wiley ID 1903900