3-METHYL-2-OXOVALERIC ACID CALCIUM SALT
Product Name 3-METHYL-2-OXOVALERIC ACID CALCIUM SALT
CAS66393-67-7
MFC12H18CaO6
MW298.35
400 MHz in DMSO-d6
90 MHz in D2O
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1H NMR 399.65 MHz C12 H18 Ca O6 0.039 g : 0.5 ml DMSO-d6 calcium 3-methyl-2-oxovalerate 
Assign. Shift(ppm)
A 2.855 B *1 1.642 C *1 1.306 D 0.981 E 0.827 J(A,B)=6.4HZ J(A,C)=6.8HZ J(A,D)=7.0HZ J(B,C)=-13.6HZ J(B,E)=7.5HZ J(C,E)=7.5HZ 90MHZ : HSP-05-547
Hz ppm Int.1151.25 2.881 78 1144.41 2.864 138 1138.06 2.848 135 1131.23 2.831 81 670.53 1.678 58 664.43 1.663 80 663.09 1.660 69 656.98 1.644 126 650.88 1.629 77 649.54 1.626 94 643.43 1.610 69 535.64 1.341 73 528.44 1.323 111 521.36 1.305 100 514.77 1.289 94 507.69 1.271 65 395.51 0.990 1000 388.55 0.973 970 338.01 0.846 473 330.57 0.828 937 323.12 0.809 411
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1H NMR 89.56 MHz C12 H18 Ca O6 0.042 g : 0.5 ml D2O calcium 3-methyl-2-oxovalerate Assign. Shift(ppm)
A 2.95 B *1 1.63 C *1 1.40 D 1.104 E 0.90 400MHZ : HSP-44-089
Hz ppm Int.275.44 3.076 60 268.75 3.001 106 263.75 2.945 41 261.94 2.925 121 255.44 2.853 78 162.81 1.818 45 160.94 1.798 39 156.88 1.752 44 156.19 1.744 57 154.94 1.731 96 150.44 1.680 55 150.19 1.677 55 148.75 1.661 106 147.31 1.645 107 144.81 1.617 41 143.69 1.605 78 142.81 1.595 114 141.13 1.576 101 140.31 1.567 76 138.31 1.545 41 136.94 1.530 89 135.88 1.518 126 134.81 1.506 53 134.06 1.497 66 130.44 1.457 60 130.19 1.454 60 128.94 1.440 138 122.25 1.366 80 115.31 1.288 49 105.19 1.175 41 102.25 1.142 1000 99.75 1.114 91 98.94 1.105 73 98.50 1.100 73 98.38 1.099 73 95.25 1.064 919 91.63 1.024 67 90.50 1.011 65 90.19 1.008 63 87.25 0.975 393 84.50 0.944 74 84.19 0.941 72 83.00 0.927 73 79.88 0.892 676 78.13 0.873 111 76.56 0.855 73 75.69 0.846 59 73.56 0.822 162 72.63 0.811 228 71.56 0.800 140 70.38 0.786 53
in DMSO-d6
KBr disc
4880 A,200 M,powder
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