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2-(2-Methyl-3-pentylcyclobut-1-en-1-yl)benzo[b]thiophene
SpectraBase Compound ID 2yyO5Q5rNAp
InChI InChI=1S/C18H22S/c1-3-4-5-8-14-11-16(13(14)2)18-12-15-9-6-7-10-17(15)19-18/h6-7,9-10,12,14H,3-5,8,11H2,1-2H3
InChIKey ALOICWYJUJUUAB-UHFFFAOYSA-N
Mol Weight 270.43 g/mol
Molecular Formula C18H22S
Exact Mass 270.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wAG0JtRQkO
Name 2-(2-Methyl-3-pentylcyclobut-1-en-1-yl)benzo[b]thiophene
Appearance Colorless oil
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Exact Mass 270.144221882 u
Formula C18H22S
InChI InChI=1S/C18H22S/c1-3-4-5-8-14-11-16(13(14)2)18-12-15-9-6-7-10-17(15)19-18/h6-7,9-10,12,14H,3-5,8,11H2,1-2H3
InChIKey ALOICWYJUJUUAB-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 270.434 g/mol
Quality 184
Reported Formula C18H22S
SMILES CC1=C(CC1CCCCC)C1=CC2=C(S1)C=CC=C2
SPLASH splash10-03di-2950000000-2867d33bcdaf50919431
Source of Spectrum QE-23-SM23-18a (DOI: 10.1002/chem.201604585)
Thin-Layer Chromatography 0.67 (hexane, UV, KMnO4)
Wiley ID 1903867