3-METHOXYISOBUTYRIC ACID METHYL ESTER(3852-11-7) 1H NMR
Product Name3-METHOXYISOBUTYRIC ACID METHYL ESTER
CAS3852-11-7
Molecular FormulaC6H12O3
Molecular Weight132.16
InChIInChI=1S/C6H12O3/c1-5(4-8-2)6(7)9-3/h5H,4H2,1-3H3
InChIKey LYLUAHKXJUQFDG-UHFFFAOYSA-N
SmilesC(OC)(=O)C(C)COC
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MassMS-IW-8104 methyl 3-methoxy-2-methylpropionate C6H12O3 (Mass of molecular ion: 132)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 6.8 27.0 3.0 28.0 2.9 29.0 6.6 31.0 3.5 32.0 1.6 33.0 1.3 39.0 5.2 40.0 1.2 41.0 19.6 42.0 4.0 43.0 2.1 45.0 100.0 46.0 3.5 47.0 1.3 55.0 4.2 56.0 4.7 57.0 5.5 59.0 9.8 61.0 1.7 68.0 1.7 69.0 15.0 70.0 1.0 71.0 1.9 72.0 7.9 73.0 20.0 74.0 1.7 75.0 3.5 85.0 13.7 87.0 4.3 91.0 5.4 99.0 2.4 100.0 25.0 101.0 26.7 102.0 12.9 117.0 13.7 133.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H12 O3 0.05 ml : 0.5 ml CDCl3 methyl 3-methoxy-2-methylpropionate 
Assign. Shift(ppm)
A 3.695 B *1 3.571 C *1 3.415 D 3.334 E 2.743 F 1.163
Hz ppm Int.1476.93 3.696 989 1436.16 3.594 112 1428.83 3.576 123 1427.00 3.571 156 1419.68 3.553 152 1371.95 3.433 138 1366.21 3.419 147 1362.79 3.410 113 1357.06 3.396 114 1332.40 3.334 1000 1106.57 2.769 57 1100.83 2.755 61 1099.37 2.751 88 1093.63 2.737 84 1092.16 2.733 68 1086.43 2.719 56 1085.08 2.716 24 468.51 1.173 576 461.30 1.155 611
in CDCl3
liquid film
