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2-PHENYLTHIO-3,4,5-TRIACETOXY-6-ACETOXYMETHYLCYClOHEX-1-ENE
SpectraBase Compound ID BNVkkOCp4yV
InChI InChI=1S/C21H24O8S/c1-12(22)26-11-16-10-18(30-17-8-6-5-7-9-17)20(28-14(3)24)21(29-15(4)25)19(16)27-13(2)23/h5-10,16,19-21H,11H2,1-4H3/t16-,19-,20+,21+/m1/s1
InChIKey PRFCGUNHFXHKIV-DBOLQNLKSA-N
Mol Weight 436.48 g/mol
Molecular Formula C21H24O8S
Exact Mass 436.119189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8cgVUaneKEK
Name 2-PHENYLTHIO-3,4,5-TRIACETOXY-6-ACETOXYMETHYLCYClOHEX-1-ENE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24O8S
InChI InChI=1S/C21H24O8S/c1-12(22)26-11-16-10-18(30-17-8-6-5-7-9-17)20(28-14(3)24)21(29-15(4)25)19(16)27-13(2)23/h5-10,16,19-21H,11H2,1-4H3/t16-,19-,20+,21+/m1/s1
InChIKey PRFCGUNHFXHKIV-DBOLQNLKSA-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 436.477 g/mol
Solvent CDCl3
Source File Reference UWSI9492