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2,2'-Bis(3-hydroxyprop-1-ynyl]-4,4'-bithiazole
SpectraBase Compound ID JpB2s7Bqt1F
InChI InChI=1S/C12H8N2O2S2/c15-5-1-3-11-13-9(7-17-11)10-8-18-12(14-10)4-2-6-16/h7-8,15-16H,5-6H2
InChIKey PVBDHSXXXYFIOD-UHFFFAOYSA-N
Mol Weight 276.33 g/mol
Molecular Formula C12H8N2O2S2
Exact Mass 276.00272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCCgH2db6Oy
Name 2,2'-Bis(3-hydroxyprop-1-ynyl]-4,4'-bithiazole
Alternate Name(s) 3-{4-[2-(3-hydroxyprop-1-yn-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl}prop-2-yn-1-ol
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Formula C12H8N2O2S2
InChI InChI=1S/C12H8N2O2S2/c15-5-1-3-11-13-9(7-17-11)10-8-18-12(14-10)4-2-6-16/h7-8,15-16H,5-6H2
InChIKey PVBDHSXXXYFIOD-UHFFFAOYSA-N
Molecular Weight 276.328 g/mol
SMILES OCC#Cc1nc(-c2nc(C#CCO)sc2)cs1
SPLASH splash10-004i-2190000000-6674c4b8c923b2a1c69c
Source of Spectrum H1-52-359-9
Wiley ID 817536