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4,4'-(Benzo[b]thiophene-2,3-diyl)bis(but-3-yn-1-ol)
SpectraBase Compound ID DE7cN8Ijv71
InChI InChI=1S/C16H14O2S/c17-11-5-3-8-14-13-7-1-2-9-15(13)19-16(14)10-4-6-12-18/h1-2,7,9,17-18H,5-6,11-12H2
InChIKey INBKCAHMAANNHG-UHFFFAOYSA-N
Mol Weight 270.35 g/mol
Molecular Formula C16H14O2S
Exact Mass 270.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3J86JcjE2UB
Name 4,4'-(Benzo[b]thiophene-2,3-diyl)bis(but-3-yn-1-ol)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O2S
InChI InChI=1S/C16H14O2S/c17-11-5-3-8-14-13-7-1-2-9-15(13)19-16(14)10-4-6-12-18/h1-2,7,9,17-18H,5-6,11-12H2
InChIKey INBKCAHMAANNHG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo501396s
Molecular Weight 270.346 g/mol
SMILES OCCC#Cc1c2c(sc1C#CCCO)cccc2
SPLASH splash10-0006-9010000000-2a2598e52d530c2b4162
Source of Spectrum J-79-9039-16h
Wiley ID 1748128