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3-(Hex-5-en-1-ynyl)-2-(phenylethynyl)benzo[b]thiophene
SpectraBase Compound ID 1xXofbEKyzC
InChI InChI=1S/C22H16S/c1-2-3-4-8-13-20-19-14-9-10-15-21(19)23-22(20)17-16-18-11-6-5-7-12-18/h2,5-7,9-12,14-15H,1,3-4H2
InChIKey CXZAFTBLTPZLAK-UHFFFAOYSA-N
Mol Weight 312.43 g/mol
Molecular Formula C22H16S
Exact Mass 312.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhABGObqR7i
Name 3-(Hex-5-en-1-ynyl)-2-(phenylethynyl)benzo[b]thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16S
InChI InChI=1S/C22H16S/c1-2-3-4-8-13-20-19-14-9-10-15-21(19)23-22(20)17-16-18-11-6-5-7-12-18/h2,5-7,9-12,14-15H,1,3-4H2
InChIKey CXZAFTBLTPZLAK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo501396s
Molecular Weight 312.430 g/mol
SMILES c1ccc2sc(c(C#CCCC=C)c2c1)C#Cc1ccccc1
SPLASH splash10-0229-0097000000-93cb815615815f9492e0
Source of Spectrum J-79-9040-16k
Synonyms 3-(hex-5-en-1-yn-1-yl)-2-(phenylethynyl)benzo[b]thiophene
Wiley ID 1748130