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2-Methyl-3-phenethyl-benzothiophene
SpectraBase Compound ID 7Dbu5McqKzA
InChI InChI=1S/C17H16S/c1-13-15(12-11-14-7-3-2-4-8-14)16-9-5-6-10-17(16)18-13/h2-10H,11-12H2,1H3
InChIKey ONTYJSRGNNRKDT-UHFFFAOYSA-N
Mol Weight 252.37 g/mol
Molecular Formula C17H16S
Exact Mass 252.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fq23BflpQhU
Name 2-Methyl-3-phenethyl-benzothiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16S
InChI InChI=1S/C17H16S/c1-13-15(12-11-14-7-3-2-4-8-14)16-9-5-6-10-17(16)18-13/h2-10H,11-12H2,1H3
InChIKey ONTYJSRGNNRKDT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19973300405
Molecular Weight 252.375 g/mol
SMILES c1cc2sc(C)c(CCc3ccccc3)c2cc1
SPLASH splash10-03di-3910000000-cb16292000f852b6f4cd
Source of Spectrum APP-330-108-6
Synonyms 2-Methhyl-3-phenethyl-benzothiophene 2-Methyl-3-(2-phenylethyl)-1-benzothiophene 2-Methyl-3-phenethylbenzo[b]thiophene
Wiley ID 1770203