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(S,RS,E)-3-[(2-HYDROXY-2-PHENYLETHYL)-SULFINYL]-1-METHOXYBUTA-1,3-DIENE
SpectraBase Compound ID HnvWK9JFjxQ
InChI InChI=1S/C13H16O3S/c1-11(8-9-16-2)17(15)10-13(14)12-6-4-3-5-7-12/h3-9,13-14H,1,10H2,2H3/b9-8+/t13-,17?/m0/s1
InChIKey MRUNGINBZMFSRJ-CSNLPVRNSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5bhfDa9wkFd
Name (S,RS,E)-3-[(2-HYDROXY-2-PHENYLETHYL)-SULFINYL]-1-METHOXYBUTA-1,3-DIENE
Compound Number 2CR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-11(8-9-16-2)17(15)10-13(14)12-6-4-3-5-7-12/h3-9,13-14H,1,10H2,2H3/b9-8+/t13-,17?/m0/s1
InChIKey MRUNGINBZMFSRJ-CSNLPVRNSA-N
Literature Reference Author M.CAVERSA,A.BARATTUCCI,P.BONACCORSI,P.GIANNETTO,D.N.JONES
Literature Reference Citation J.ORG.CHEM.,62,4376(1997)
Literature Reference DOI 10.1021/jo962286p
Molecular Weight 252.328 g/mol
Solvent CDCl3
Source File Reference UWCP8126