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2-PHENYLTHIO-3,4,5-TRIACETOXYCYClOHEX-1-ENE

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2-PHENYLTHIO-3,4,5-TRIACETOXYCYClOHEX-1-ENE
SpectraBase Compound ID 49WSE2W3ikV
InChI InChI=1S/2C18H20O6S/c2*1-11(19)22-15-9-10-16(25-14-7-5-4-6-8-14)18(24-13(3)21)17(15)23-12(2)20/h2*4-8,10,15,17-18H,9H2,1-3H3/t2*15-,17+,18+/m00/s1
InChIKey WFLKPLWUJZDYLX-KICZARFRSA-N
Mol Weight 728.82 g/mol
Molecular Formula C36H40O12S2
Exact Mass 728.196119 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4KdDSP6a62P
Name 2-PHENYLTHIO-3,4,5-TRIACETOXYCYClOHEX-1-ENE
Compound Number 25
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H40O12S2
InChI InChI=1S/2C18H20O6S/c2*1-11(19)22-15-9-10-16(25-14-7-5-4-6-8-14)18(24-13(3)21)17(15)23-12(2)20/h2*4-8,10,15,17-18H,9H2,1-3H3/t2*15-,17+,18+/m00/s1
InChIKey WFLKPLWUJZDYLX-KICZARFRSA-N
Literature Reference Author A.LUBINEAU,I.BILLAULT
Literature Reference Citation CARBOHYDR.RES.,320,49(1999)
Literature Reference DOI 10.1016/S0008-6215(99)00137-8
Molecular Weight 728.826 g/mol
Solvent CDCl3
Source File Reference UWSI9491