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4-[(1E,3E,5E)-6-(2-BENZO-[B]-THIENYL)-HEXA-1,3,5-TRIENYL]-5-HYDROXY-2(5H)-FURANONE
SpectraBase Compound ID 9tiND8x4RRB
InChI InChI=1S/C18H14O3S/c19-17-12-14(18(20)21-17)8-3-1-2-4-9-15-11-13-7-5-6-10-16(13)22-15/h1-12,18,20H/b2-1+,8-3+,9-4+
InChIKey ZKEQIICNHPQAPF-BJFSYUMESA-N
Mol Weight 310.37 g/mol
Molecular Formula C18H14O3S
Exact Mass 310.066365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HlfJ9I7cxXH
Name 4-[(1E,3E,5E)-6-(2-BENZO-[B]-THIENYL)-HEXA-1,3,5-TRIENYL]-5-HYDROXY-2(5H)-FURANONE
Compound Number 17D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14O3S
InChI InChI=1S/C18H14O3S/c19-17-12-14(18(20)21-17)8-3-1-2-4-9-15-11-13-7-5-6-10-16(13)22-15/h1-12,18,20H/b2-1+,8-3+,9-4+
InChIKey ZKEQIICNHPQAPF-BJFSYUMESA-N
Literature Reference Author Y.YAMANO,Y.FUJITA,Y.MIZUGUCHI,K.NAKAGAWA,T.OKANO,M.ITO,A.WAD A
Literature Reference Citation CHEM.PHARM.BULL.,55,1365(2007)
Literature Reference DOI 10.1248/cpb.55.1365
Molecular Weight 310.367 g/mol
Sample ID 56191
Solvent DMSO-D6