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5-[3-(But-3-en-1-ynyl)benzo[b]thiophen-2-yl]pent-4-ynal
SpectraBase Compound ID 1KJGVSbGAXt
InChI InChI=1S/C17H12OS/c1-2-3-9-14-15-10-6-7-12-17(15)19-16(14)11-5-4-8-13-18/h2,6-7,10,12-13H,1,4,8H2
InChIKey DODKYXCTCDEJRI-UHFFFAOYSA-N
Mol Weight 264.34 g/mol
Molecular Formula C17H12OS
Exact Mass 264.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Din6wSVVj4O
Name 5-[3-(But-3-en-1-ynyl)benzo[b]thiophen-2-yl]pent-4-ynal
Alternate Name(s) 5-(3-(but-3-en-1-yn-1-yl)benzo[b]thiophen-2-yl)pent-4-ynal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12OS
InChI InChI=1S/C17H12OS/c1-2-3-9-14-15-10-6-7-12-17(15)19-16(14)11-5-4-8-13-18/h2,6-7,10,12-13H,1,4,8H2
InChIKey DODKYXCTCDEJRI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo501396s
Molecular Weight 264.342 g/mol
SMILES c1cc2c(C#CC=C)c(C#CCCC=O)sc2cc1
SPLASH splash10-06xx-5090000000-e4d1ef12bd9119c2025b
Source of Spectrum J-79-9042-19a
Wiley ID 1748137