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(1RS,2SR,4RS,5SR,6SR,7RS)-6,7-BIS-(METHOXYCARBONYL)-8-OXA-3-AZONIA-[3.2.1.0(2,4)]-OCTANE-PARA-TOLUENESULFONATE
SpectraBase Compound ID NKtBHWhoAe
InChI InChI=1S/C10H13NO5.C7H8O3S/c1-14-9(12)3-4(10(13)15-2)8-6-5(11-6)7(3)16-8;1-6-2-4-7(5-3-6)11(8,9)10/h3-8,11H,1-2H3;2-5H,1H3,(H,8,9,10)/t3-,4+,5+,6-,7-,8+;
InChIKey QMCSKPBDZHLCJL-OCYVQUROSA-N
Mol Weight 399.41 g/mol
Molecular Formula C17H21NO8S
Exact Mass 399.098788 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LyGk3xWQu2i
Name (1RS,2SR,4RS,5SR,6SR,7RS)-6,7-BIS-(METHOXYCARBONYL)-8-OXA-3-AZONIA-[3.2.1.0(2,4)]-OCTANE-PARA-TOLUENESULFONATE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21NO8S
InChI InChI=1S/C10H13NO5.C7H8O3S/c1-14-9(12)3-4(10(13)15-2)8-6-5(11-6)7(3)16-8;1-6-2-4-7(5-3-6)11(8,9)10/h3-8,11H,1-2H3;2-5H,1H3,(H,8,9,10)/t3-,4+,5+,6-,7-,8+;
InChIKey QMCSKPBDZHLCJL-OCYVQUROSA-N
Literature Reference Author S.ALLEMANN,J.L.REYMOND,P.VOGEL
Literature Reference Citation HELV.CHIM.ACTA,73,674(1990)
Literature Reference DOI 10.1002/hlca.19900730316
Molecular Weight 399.416 g/mol
Solvent CD3OD
Source File Reference UWCS9682