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5[2-(4-Hydroxybut-1-ynyl)benzo[b]thiophen-3-yl]pent-4-yn-1-ol
SpectraBase Compound ID E6esaGALxNE
InChI InChI=1S/C17H16O2S/c18-12-6-1-2-8-14-15-9-3-4-10-16(15)20-17(14)11-5-7-13-19/h3-4,9-10,18-19H,1,6-7,12-13H2
InChIKey DNMWNAXSTHXGLA-UHFFFAOYSA-N
Mol Weight 284.37 g/mol
Molecular Formula C17H16O2S
Exact Mass 284.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18MiIEuFXcK
Name 5[2-(4-Hydroxybut-1-ynyl)benzo[b]thiophen-3-yl]pent-4-yn-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O2S
InChI InChI=1S/C17H16O2S/c18-12-6-1-2-8-14-15-9-3-4-10-16(15)20-17(14)11-5-7-13-19/h3-4,9-10,18-19H,1,6-7,12-13H2
InChIKey DNMWNAXSTHXGLA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo501396s
Molecular Weight 284.373 g/mol
SMILES OCCC#Cc1c(C#CCCCO)c2c(s1)cccc2
SPLASH splash10-053r-1390000000-c664147315fb9e9f65bd
Source of Spectrum J-79-9040-16i
Synonyms 5-(2-(4-hydroxybut-1-yn-1-yl)benzo[b]thiophen-3-yl)pent-4-yn-1-ol
Wiley ID 1748129