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E-ALPHA-ACETYL-DELTA-(2-THIENYL)-BUTADIENECARBOXYLIC_ACID_METHYLESTER
SpectraBase Compound ID GZKveQTaKvy
InChI InChI=1S/C12H12O3S/c1-9(13)11(12(14)15-2)7-3-5-10-6-4-8-16-10/h3-8H,1-2H3/b5-3+,11-7+
InChIKey XRYJIQVVSJHSPV-RBMCBPMHSA-N
Mol Weight 236.28 g/mol
Molecular Formula C12H12O3S
Exact Mass 236.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 58Hv0LQpaRD
Name E-ALPHA-ACETYL-DELTA-(2-THIENYL)-BUTADIENECARBOXYLIC_ACID_METHYLESTER
Compound Number E-VI-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O3S
InChI InChI=1S/C12H12O3S/c1-9(13)11(12(14)15-2)7-3-5-10-6-4-8-16-10/h3-8H,1-2H3/b5-3+,11-7+
InChIKey XRYJIQVVSJHSPV-RBMCBPMHSA-N
Literature Reference Author Z.A.KRASNAYA,S.A.BUROVA,V.S.BOGDANOV,Y.V.SMIRNOVA
Literature Reference Citation CHEM.HET.COMP.,33,410(1997)
Literature Reference DOI 10.1007/bf02321384
Molecular Weight 236.285 g/mol
Solvent CDCl3
Source File Reference UWMZ15095