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(1R*)-[5'-(Hepta-1'',3'',5''-triynyl)thiophen-2'-yl]-ethane-1,2-diol
SpectraBase Compound ID HvhMsr5nwoc
InChI InChI=1S/C13H10O2S/c1-2-3-4-5-6-7-11-8-9-13(16-11)12(15)10-14/h8-9,12,14-15H,10H2,1H3
InChIKey WADATKPAGZFMOI-UHFFFAOYSA-N
Mol Weight 230.28 g/mol
Molecular Formula C13H10O2S
Exact Mass 230.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uEVrgu6x6
Name (1R*)-[5'-(Hepta-1'',3'',5''-triynyl)thiophen-2'-yl]-ethane-1,2-diol
Alternate Name(s) Rhaponthiynethiophene B
Comments Less than 3 mono-isotopic peaks
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Formula C13H10O2S
InChI InChI=1S/C13H10O2S/c1-2-3-4-5-6-7-11-8-9-13(16-11)12(15)10-14/h8-9,12,14-15H,10H2,1H3
InChIKey WADATKPAGZFMOI-UHFFFAOYSA-N
Molecular Weight 230.281 g/mol
SMILES OC(CO)c1sc(C#CC#CC#CC)cc1
SPLASH splash10-0002-0950000000-475d3ac948e3cd1989eb
Source of Spectrum H-91-134-3
Wiley ID 1693536