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3-Iodo-2-(phenylethynyl)benzo[b]thiophene

View entire compound with spectra: 1 MS (GC)

3-Iodo-2-(phenylethynyl)benzo[b]thiophene
SpectraBase Compound ID ItJbPJkTbEZ
InChI InChI=1S/C16H9IS/c17-16-13-8-4-5-9-14(13)18-15(16)11-10-12-6-2-1-3-7-12/h1-9H
InChIKey SAQVUKYAKVSBDJ-UHFFFAOYSA-N
Mol Weight 360.21 g/mol
Molecular Formula C16H9IS
Exact Mass 359.946966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90o71KOHNng
Name 3-Iodo-2-(phenylethynyl)benzo[b]thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9IS
InChI InChI=1S/C16H9IS/c17-16-13-8-4-5-9-14(13)18-15(16)11-10-12-6-2-1-3-7-12/h1-9H
InChIKey SAQVUKYAKVSBDJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo501396s
Molecular Weight 360.212 g/mol
SMILES c1cc2c(c(C#Cc3ccccc3)sc2cc1)I
SPLASH splash10-03di-0389000000-943b42455d8c6422b9e4
Source of Spectrum J-79-9035-10a
Wiley ID 1748120