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3-((4-Bromophenyl)ethynyl)-2(tert-butyl)benzo[b]thiophene
SpectraBase Compound ID Bsh6g5rjdXY
InChI InChI=1S/C20H17BrS/c1-20(2,3)19-17(16-6-4-5-7-18(16)22-19)13-10-14-8-11-15(21)12-9-14/h4-9,11-12H,1-3H3
InChIKey QTWAJXPADRJLJV-UHFFFAOYSA-N
Mol Weight 369.32 g/mol
Molecular Formula C20H17BrS
Exact Mass 368.023435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ed5Prv9xkCM
Name 3-((4-Bromophenyl)ethynyl)-2(tert-butyl)benzo[b]thiophene
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17BrS
InChI InChI=1S/C20H17BrS/c1-20(2,3)19-17(16-6-4-5-7-18(16)22-19)13-10-14-8-11-15(21)12-9-14/h4-9,11-12H,1-3H3
InChIKey QTWAJXPADRJLJV-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202200353
Molecular Weight 369.320 g/mol
SMILES C(#Cc1ccc(cc1)Br)c1c2c(sc1C(C)(C)C)cccc2
SPLASH splash10-00di-0199000000-fd5f4812a274ea8177b3
Source of Spectrum AJO-11-11-4jd
Wiley ID 1873025