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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPcO7Il587x
Name TPA;(E)-2-[5-(HEPT-5-EN-1,3-DIYNYL)-THIEN-2-YL]-ETHAN-1,2-DIOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author V.CHOBOT,V.BUCHTA,H.JAHODAROVA,M.POUR,L.OPLETAL,L.JAHODAR,P. HARANT
Literature Reference Citation FITOTERAPIA,74,288(2003)
Literature Reference DOI 10.1016/S0367-326X(03)00027-3
Molecular Weight 232.297 g/mol
Solvent CD3OD
Source File Reference UWVN4201