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5-[3-(Pent-4-en-1-ynyl)benzo[b]thiophen-2-yl]pent-4-yn-1-ol
SpectraBase Compound ID KjWDCka5DoY
InChI InChI=1S/C18H16OS/c1-2-3-5-10-15-16-11-7-8-13-18(16)20-17(15)12-6-4-9-14-19/h2,7-8,11,13,19H,1,3-4,9,14H2
InChIKey LFCUSVGHRYUKGX-UHFFFAOYSA-N
Mol Weight 280.38 g/mol
Molecular Formula C18H16OS
Exact Mass 280.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCqogK6CbUs
Name 5-[3-(Pent-4-en-1-ynyl)benzo[b]thiophen-2-yl]pent-4-yn-1-ol
Alternate Name(s) 5-(3-(pent-4-en-1-yn-1-yl)benzo[b]thiophen-2-yl)pent-4-yn-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16OS
InChI InChI=1S/C18H16OS/c1-2-3-5-10-15-16-11-7-8-13-18(16)20-17(15)12-6-4-9-14-19/h2,7-8,11,13,19H,1,3-4,9,14H2
InChIKey LFCUSVGHRYUKGX-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo501396s
Molecular Weight 280.385 g/mol
SMILES OCCCC#Cc1sc2c(cccc2)c1C#CCC=C
SPLASH splash10-0006-9000000000-43a4af4c2ace269624de
Source of Spectrum J-79-9040-16m
Wiley ID 1748132