L-LEUCIC ACID(13748-90-8) IR2
Product NameL-LEUCIC ACID
CAS13748-90-8
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)/t5-/m0/s1
InChIKey LVRFTAZAXQPQHI-YFKPBYRVSA-N
SmilesC(O)(=O)[C@@H](O)CC(C)C
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MassMS-NW-1959 L-2-hydroxy-4-methylvaleric acid C6H12O3 (Mass of molecular ion: 132)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.6 17.0 2.6 18.0 13.2 19.0 6.8 26.0 1.6 27.0 25.6 28.0 5.0 29.0 27.5 30.0 1.2 31.0 4.9 38.0 1.5 39.0 15.4 40.0 2.3 41.0 58.9 42.0 8.6 43.0 100.0 44.0 17.0 45.0 50.3 46.0 1.1 50.0 1.0 51.0 1.1 53.0 3.8 55.0 6.5 56.0 1.3 57.0 30.9 58.0 6.3 59.0 2.5 60.0 1.4 67.0 1.4 69.0 99.0 70.0 6.2 71.0 10.7 72.0 5.5 73.0 3.1 75.0 2.0 76.0 25.7 81.0 1.3 85.0 4.5 86.0 1.1 87.0 60.0 88.0 3.5 89.0 1.2 99.0 5.9 113.0 1.3 129.0 1.5 139.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 O3 0.041 g : 0.5 ml CDCl3 L-2-hydroxy-4-methylvaleric acid 
Assign. Shift(ppm)
A 7.10 B 4.295 C 1.85 D 1.64 E 0.970
Hz ppm Int.391.56 4.373 80 384.88 4.298 93 384.25 4.291 84 378.31 4.225 78 165.81 1.852 47 152.06 1.698 165 146.19 1.633 172 145.31 1.623 148 139.38 1.557 79 138.31 1.545 71 89.81 1.003 1000 83.69 0.935 899
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
