MES sodium salt(71119-23-8) 1H NMR
Molecular FormulaC6H14NNaO4S
Molecular Weight219.23
InChIInChI=1S/C6H13NO4S.Na/c8-12(9,10)6-3-7-1-4-11-5-2-7;/h1-6H2,(H,8,9,10);/q;+1/p-1
InChIKey IRHWMYKYLWNHTL-UHFFFAOYSA-M
SmilesS([O-])(=O)(=O)CCN1CCOCC1.[Na+]
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Assign. Shift(ppm)
A 3.549
B 2.641
C 2.577
D 2.332
ASSIGNED BY C-H COSY.
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
66.10 976 1
54.40 491 2
53.16 1000 3
48.52 427 4
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : KBr disc