MOPS sodium salt(71119-22-7) 13C NMR
Molecular FormulaC7H16NNaO4S
Molecular Weight233.26
InChIInChI=1S/C7H15NO4S.Na/c9-13(10,11)7-1-2-8-3-5-12-6-4-8;/h1-7H2,(H,9,10,11);/q;+1/p-1
InChIKey MWEMXEWFLIDTSJ-UHFFFAOYSA-M
SmilesS([O-])(=O)(=O)CCCN1CCOCC1.[Na+]
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Assign. Shift(ppm)
A 3.559
B *1 2.477
C *1 2.31
D 1.731
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
66.17 1000 1
57.26 475 2
53.15 913 3
49.26 442 4
22.12 436 5
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : nujol mull