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1-Phenyl-2-[4'-(thien-2"-yl)but-3'-yn-2'-ylamino]propane-1,3-diol
SpectraBase Compound ID 3LRO5Do5NnL
InChI InChI=1S/C17H19NO2S/c1-13(9-10-15-8-5-11-21-15)18-16(12-19)17(20)14-6-3-2-4-7-14/h2-8,11,13,16-20H,12H2,1H3
InChIKey HAFNEBYITMIBNM-UHFFFAOYSA-N
Mol Weight 301.4 g/mol
Molecular Formula C17H19NO2S
Exact Mass 301.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63DyPHca7mz
Name 1-Phenyl-2-[4'-(thien-2"-yl)but-3'-yn-2'-ylamino]propane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO2S
InChI InChI=1S/C17H19NO2S/c1-13(9-10-15-8-5-11-21-15)18-16(12-19)17(20)14-6-3-2-4-7-14/h2-8,11,13,16-20H,12H2,1H3
InChIKey HAFNEBYITMIBNM-UHFFFAOYSA-N
Molecular Weight 301.404 g/mol
SMILES N(C(CO)C(c1ccccc1)O)C(C#Cc1sccc1)C
SPLASH splash10-000l-1900000000-51b9ee1d689e4421a725
Source of Spectrum H-78-988-12
Synonyms 2-{[1-methyl-3-(2-thienyl)-2-propynyl]amino}-1-phenyl-1,3-propanediol
Wiley ID 1303826