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2-Butyl-3-(hex-1-yn-1-yl)benzo[b]thiophene
SpectraBase Compound ID 3qhTaMcHQeH
InChI InChI=1S/C18H22S/c1-3-5-7-8-11-15-16-12-9-10-14-18(16)19-17(15)13-6-4-2/h9-10,12,14H,3-7,13H2,1-2H3
InChIKey GQTMUGARBWQKGO-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 1uNm9bZJTM
Name 2-Butyl-3-(hex-1-yn-1-yl)benzo[b]thiophene
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22S
InChI InChI=1S/C18H22S/c1-3-5-7-8-11-15-16-12-9-10-14-18(16)19-17(15)13-6-4-2/h9-10,12,14H,3-7,13H2,1-2H3
InChIKey GQTMUGARBWQKGO-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202200353
Molecular Weight 270.434 g/mol
SMILES C(#CCCCC)c1c2c(sc1CCCC)cccc2
SPLASH splash10-00g0-0690000000-33c664cb24c88430853e
Source of Spectrum AJO-11-11-4ia
Wiley ID 1873024