DL-LEUCIC ACID(10303-64-7) 1H NMR
Product NameDL-LEUCIC ACID
CAS10303-64-7
Molecular FormulaC6H12O3
Molecular Weight132.16
InChIInChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
InChIKey LVRFTAZAXQPQHI-UHFFFAOYSA-N
SmilesC(O)(C(=O)O)CC(C)C
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MassMS-NW-4655 DL-2-hydroxy-4-methylvaleric acid C6H12O3 (Mass of molecular ion: 132)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.9 17.0 1.0 18.0 4.8 19.0 5.5 26.0 1.4 27.0 22.4 28.0 5.5 29.0 23.0 30.0 1.2 31.0 4.5 38.0 1.5 39.0 15.3 40.0 2.5 41.0 55.6 42.0 8.3 43.0 96.7 44.0 12.4 45.0 48.0 46.0 1.2 47.0 1.0 51.0 1.1 53.0 4.2 55.0 7.3 56.0 1.3 57.0 26.0 58.0 5.2 59.0 2.8 60.0 1.2 67.0 1.8 68.0 1.1 69.0 100.0 70.0 6.2 71.0 10.9 72.0 6.3 73.0 3.5 75.0 4.3 76.0 27.4 77.0 1.1 81.0 1.6 85.0 2.5 87.0 55.0 88.0 3.6 89.0 1.4 99.0 6.3 101.0 1.2 113.0 1.5 129.0 4.3 144.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 O3 0.044 g : 0.5 ml CDCl3 DL-2-hydroxy-4-methylvaleric acid 
Assign. Shift(ppm)
A 7.3 B 4.296 C 1.85 D 1.63 E 0.964
Hz ppm Int.652.06 7.281 51 391.63 4.373 83 385.25 4.302 91 384.19 4.290 97 378.25 4.224 82 178.13 1.989 27 171.56 1.916 38 171.00 1.910 37 165.38 1.847 33 165.06 1.844 38 164.06 1.832 30 158.56 1.771 34 158.19 1.767 33 151.75 1.695 166 145.56 1.626 167 138.69 1.549 74 137.69 1.538 64 89.31 0.998 1000 83.13 0.929 903
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
