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5,5'-Bis(3-hydroxyprop-1-ynyl]-2,2'-bithiazole
SpectraBase Compound ID 2SJPHYwYlAB
InChI InChI=1S/C12H8N2O2S2/c15-5-1-3-9-7-13-11(17-9)12-14-8-10(18-12)4-2-6-16/h7-8,15-16H,5-6H2
InChIKey ZZWUTCYCPUWVFS-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 K55YAIhZMmY
Name 5,5'-Bis(3-hydroxyprop-1-ynyl]-2,2'-bithiazole
Alternate Name(s) 3-{2-[5-(3-hydroxyprop-1-yn-1-yl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl}prop-2-yn-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N2O2S2
InChI InChI=1S/C12H8N2O2S2/c15-5-1-3-9-7-13-11(17-9)12-14-8-10(18-12)4-2-6-16/h7-8,15-16H,5-6H2
InChIKey ZZWUTCYCPUWVFS-UHFFFAOYSA-N
Molecular Weight 276.328 g/mol
SMILES OCC#Cc1cnc(-c2sc(C#CCO)cn2)s1
SPLASH splash10-004i-0290000000-73180dd0c977cb859ff3
Source of Spectrum H1-52-359-10
Wiley ID 817535