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(3S,4S,SS)-1-[[(S)-2-HYDROXY-2-PHENYLETHYL]-SULFINYL]-3-METHOXY-4-(METHOXYCARBONYL)-CYClOHEXENE
SpectraBase Compound ID 7pklAWeLyi6
InChI InChI=1S/C17H22O5S/c1-21-16-10-13(8-9-14(16)17(19)22-2)23(20)11-15(18)12-6-4-3-5-7-12/h3-7,10,14-16,18H,8-9,11H2,1-2H3
InChIKey OQVFHIWDVNIWRI-UHFFFAOYSA-N
Mol Weight 338.42 g/mol
Molecular Formula C17H22O5S
Exact Mass 338.118795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FW4OczRwYTm
Name (3S,4S,SS)-1-[[(S)-2-HYDROXY-2-PHENYLETHYL]-SULFINYL]-3-METHOXY-4-(METHOXYCARBONYL)-CYClOHEXENE
Compound Number 16CS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22O5S
InChI InChI=1S/C17H22O5S/c1-21-16-10-13(8-9-14(16)17(19)22-2)23(20)11-15(18)12-6-4-3-5-7-12/h3-7,10,14-16,18H,8-9,11H2,1-2H3
InChIKey OQVFHIWDVNIWRI-UHFFFAOYSA-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 338.419 g/mol
Solvent CDCl3
Source File Reference UWCP8132