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(2-(3-Iodo-2-methylcyclobut-2-en-1-yl)ethyl)benzene
SpectraBase Compound ID BUAxCHzihPL
InChI InChI=1S/C13H15I/c1-10-12(9-13(10)14)8-7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKey AEYMXOMIYWOUNI-UHFFFAOYSA-N
Mol Weight 298.17 g/mol
Molecular Formula C13H15I
Exact Mass 298.021845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYkpPm8ekqK
Name (2-(3-Iodo-2-methylcyclobut-2-en-1-yl)ethyl)benzene
Appearance Colorless oil
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Formula C13H15I
InChI InChI=1S/C13H15I/c1-10-12(9-13(10)14)8-7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKey AEYMXOMIYWOUNI-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 298.167 g/mol
Quality 185
Reported Formula C13H15I
SMILES C1(I)=C(C(C1)CCC1=CC=CC=C1)C
SPLASH splash10-00kf-9800000000-45686095e8004ad1048e
Source of Spectrum QE-23-SM14-17d (DOI: 10.1002/chem.201604585)
Thin-Layer Chromatography 0.58 (hexane, UV, KMnO4)
Wiley ID 1903864