Sodium Butyrate(156-54-7) IR1
Product NameSodium Butyrate
CAS156-54-7
Molecular FormulaC4H7NaO2
Molecular Weight110.09
InChIInChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1
InChIKey MFBOGIVSZKQAPD-UHFFFAOYSA-M
SmilesC(CC)C([O-])=O.[Na+]
in D2O
90 MHz in D2O
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-
1H NMR 89.56 MHz C4 H7 Na O2 0.047 g : 0.5 ml D2O sodium butyrate 
Assign. Shift(ppm)
A 2.155 B 1.56 C 0.91
Hz ppm Int.201.75 2.253 218 200.63 2.241 212 198.81 2.220 34 194.13 2.168 497 187.13 2.090 413 186.44 2.082 371 184.38 2.059 38 158.19 1.767 65 151.63 1.694 126 150.75 1.684 165 148.56 1.659 31 143.81 1.606 271 140.50 1.569 43 140.06 1.564 46 136.81 1.528 231 135.63 1.515 262 133.56 1.492 40 132.94 1.485 34 130.19 1.454 100 129.06 1.442 197 122.06 1.363 71 87.44 0.977 563 80.63 0.901 1000 77.00 0.860 57 76.13 0.851 56 73.00 0.816 327 71.94 0.804 169
in D2O
KBr disc
nujol mull
