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3-Iodo-2-phenethylbenzo[b]thiophene
SpectraBase Compound ID 6pM3PkJZgUu
InChI InChI=1S/C16H13IS/c17-16-13-8-4-5-9-14(13)18-15(16)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey CHLQJILQNIDDCI-UHFFFAOYSA-N
Mol Weight 364.24 g/mol
Molecular Formula C16H13IS
Exact Mass 363.978267 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQhxGCvhQh5
Name 3-Iodo-2-phenethylbenzo[b]thiophene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13IS
InChI InChI=1S/C16H13IS/c17-16-13-8-4-5-9-14(13)18-15(16)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey CHLQJILQNIDDCI-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202200353
Molecular Weight 364.244 g/mol
SMILES c1(I)c2c(sc1CCc1ccccc1)cccc2
SPLASH splash10-00di-0192000000-c13638682403fb7176e8
Source of Spectrum AJO-11-8-2h
Wiley ID 1873010