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2-(2-Methyl-3-propylcyclobut-1-en-1-yl)benzofuran
SpectraBase Compound ID HTXM9Xw2493
InChI InChI=1S/C16H18O/c1-3-6-12-9-14(11(12)2)16-10-13-7-4-5-8-15(13)17-16/h4-5,7-8,10,12H,3,6,9H2,1-2H3
InChIKey BOECGIOGFYDSEQ-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C16H18O
Exact Mass 226.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tLW31gwgC
Name 2-(2-Methyl-3-propylcyclobut-1-en-1-yl)benzofuran
Appearance Colorless oil
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Exact Mass 226.135765199 u
Formula C16H18O
InChI InChI=1S/C16H18O/c1-3-6-12-9-14(11(12)2)16-10-13-7-4-5-8-15(13)17-16/h4-5,7-8,10,12H,3,6,9H2,1-2H3
InChIKey BOECGIOGFYDSEQ-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 226.319 g/mol
Quality 364
SMILES CC1=C(CC1CCC)C=1OC2=C(C1)C=CC=C2
SPLASH splash10-02ea-1940000000-0a08a1aa76b39bce793c
Source of Spectrum QE-23-SM23-18b (DOI: 10.1002/chem.201604585)
Thin-Layer Chromatography 0.71 (hexane, UV, KMnO4)
Wiley ID 1903868