Product Name SODIUM ISOBUTYRATE
CAS996-30-5
MFC4H7NaO2
MW110.09
InChIInChI=1S/C4H8O2.Na/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);/q;+1/p-1
InChIKeyTWEGKFXBDXYJIU-UHFFFAOYSA-M
SmilesC(C)(C)C([O-])=O.[Na+]
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parameter in DMSO-d6
Parameter ppm Hz D(A) 2.095 D(B) 0.964 J(A,B) 6.8
Hz ppm Int.
642.27 2.141 28 635.47 2.118 68 628.68 2.096 94 621.88 2.073 74 615.07 2.050 32 292.57 0.975 1000 285.78 0.953 959
in DMSO-d6
KBr disc
nujol mull
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SODIUM ISOBUTYRATE(996-30-5)13CNMR Atlas of Related Products
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