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PYRIDINIUM-2,4,6-TRITHIA-HEPTANE-3-SULFONATE-2,2,4,4,6,6-HEXA-OXIDE
SpectraBase Compound ID 6HI2WDgiKCD
InChI InChI=1S/C5H5N.C4H10O9S4/c1-2-4-6-5-3-1;1-14(5,6)3-16(9,10)4(15(2,7)8)17(11,12)13/h1-5H;4H,3H2,1-2H3,(H,11,12,13)
InChIKey DSGSZYPMHBXTND-UHFFFAOYSA-N
Mol Weight 409.46 g/mol
Molecular Formula C9H15NO9S4
Exact Mass 408.962966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 56Piprbl0hS
Name PYRIDINIUM-2,4,6-TRITHIA-HEPTANE-3-SULFONATE-2,2,4,4,6,6-HEXA-OXIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H15NO9S4
InChI InChI=1S/C5H5N.C4H10O9S4/c1-2-4-6-5-3-1;1-14(5,6)3-16(9,10)4(15(2,7)8)17(11,12)13/h1-5H;4H,3H2,1-2H3,(H,11,12,13)
InChIKey DSGSZYPMHBXTND-UHFFFAOYSA-N
Literature Reference Author J.S.GROSSERT,M.M.BHARADWAJ,R.F.LANGLER,T.S.CAMERON,R.E.CORDE S
Literature Reference Citation CAN.J.CHEM.,56,1183(1978)
Literature Reference DOI 10.1139/v78-198
Molecular Weight 409.459 g/mol
Solvent H2O
Source File Reference UWED2807