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TPA;(E)-2-[5-(HEPT-5-EN-1,3-DIYNYL)-THIEN-2-YL]-ETHAN-1,2-DIOL
SpectraBase Compound ID BzK1rBlnVRZ
InChI InChI=1S/C13H12O2S/c1-2-3-4-5-6-7-11-8-9-13(16-11)12(15)10-14/h2-3,8-9,12,14-15H,10H2,1H3/b3-2+
InChIKey RCBXJOCDSLBWEX-NSCUHMNNSA-N
Mol Weight 232.3 g/mol
Molecular Formula C13H12O2S
Exact Mass 232.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPyULJeXnPw
Name 5-(1',2'-Dihydroxyethyl)-2-hept-5-ene-1,3-diynylthiophene
Alternate Name(s) 1-[5-[(E)-hept-5-en-1,3-diynyl]-2-thiophenyl]ethane-1,2-diol 1-[5-[(E)-hept-5-en-1,3-diynyl]thiophen-2-yl]ethane-1,2-diol
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Formula C13H12O2S
InChI InChI=1S/C13H12O2S/c1-2-3-4-5-6-7-11-8-9-13(16-11)12(15)10-14/h2-3,8-9,12,14-15H,10H2,1H3/b3-2+
InChIKey RCBXJOCDSLBWEX-NSCUHMNNSA-N
Molecular Weight 232.297 g/mol
SMILES OC(CO)c1sc(C#CC#C\C=C\C)cc1
SPLASH splash10-0udi-0190000000-e5c8a9b3c249266e7b97
Source of Spectrum G4-69-1243-5
Wiley ID 1713981