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5-[3-(Pent-4-en-1-ynyl)benzo[b]thiophen-2-yl]pent-4-ynal
SpectraBase Compound ID DhKmS4EEiNZ
InChI InChI=1S/C18H14OS/c1-2-3-5-10-15-16-11-7-8-13-18(16)20-17(15)12-6-4-9-14-19/h2,7-8,11,13-14H,1,3-4,9H2
InChIKey HWURYOGAGLTXJI-UHFFFAOYSA-N
Mol Weight 278.37 g/mol
Molecular Formula C18H14OS
Exact Mass 278.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LiQaAipKbcL
Name 5-[3-(Pent-4-en-1-ynyl)benzo[b]thiophen-2-yl]pent-4-ynal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14OS
InChI InChI=1S/C18H14OS/c1-2-3-5-10-15-16-11-7-8-13-18(16)20-17(15)12-6-4-9-14-19/h2,7-8,11,13-14H,1,3-4,9H2
InChIKey HWURYOGAGLTXJI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo501396s
Molecular Weight 278.369 g/mol
SMILES c1cc2c(cc1)sc(C#CCCC=O)c2C#CCC=C
SPLASH splash10-05bf-6090000000-6ad9cbb469613e13bd4f
Source of Spectrum J-79-9042-19b
Synonyms 5-(3-(pent-4-en-1-yn-1-yl)benzo[b]thiophen-2-yl)pent-4-ynal
Wiley ID 1748138