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3-(2-Methyl-3-phenethylcyclobut-1-en-1-yl)thiophene
SpectraBase Compound ID 8a2PcHwcrdH
InChI InChI=1S/C17H18S/c1-13-15(8-7-14-5-3-2-4-6-14)11-17(13)16-9-10-18-12-16/h2-6,9-10,12,15H,7-8,11H2,1H3
InChIKey PRPMPGFGILDOFU-UHFFFAOYSA-N
Mol Weight 254.39 g/mol
Molecular Formula C17H18S
Exact Mass 254.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40RmVJ9cXIJ
Name 3-(2-Methyl-3-phenethylcyclobut-1-en-1-yl)thiophene
Appearance Colorless oil
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Exact Mass 254.112921754 u
Formula C17H18S
InChI InChI=1S/C17H18S/c1-13-15(8-7-14-5-3-2-4-6-14)11-17(13)16-9-10-18-12-16/h2-6,9-10,12,15H,7-8,11H2,1H3
InChIKey PRPMPGFGILDOFU-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 254.391 g/mol
Quality 191
Reported Formula C17H18S
SMILES CC1=C(CC1CCC1=CC=CC=C1)C1=CSC=C1
SPLASH splash10-00mo-9600000000-fd59d0a4982551fec795
Source of Spectrum QE-23-SM34-20f (DOI: 10.1002/chem.201604585)
Thin-Layer Chromatography 0.38 (hexane, UV, KMnO4)
Wiley ID 1903884