DL-Norleucine(616-06-8) 1H NMR
Product NameDL-Norleucine
CAS616-06-8
Molecular FormulaC6H13NO2
Molecular Weight131.17
InChIInChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKey LRQKBLKVPFOOQJ-YFKPBYRVSA-N
SmilesC(O)(=O)[C@H](CCCC)N
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MassMS-NW-9311 DL-norleucine C6H13NO2 (Mass of molecular ion: 131)
Source Temperature: 170 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 5.5 27.0 4.1 28.0 8.8 29.0 4.5 30.0 51.0 39.0 2.2 41.0 11.1 42.0 3.4 43.0 7.8 44.0 11.3 46.0 1.8 56.0 3.2 57.0 3.2 69.0 9.0 70.0 1.1 74.0 21.5 75.0 2.4 86.0 100.0 87.0 6.5
400 MHz in D2O at +60.C
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1H NMR 399.65 MHz C6 H13 N O2 saturated in D2O at 60 C DL-norleucine 
Assign. Shift(ppm)
A 3.725 B 1.860 C 1.37 D 0.904
Hz ppm Int.1495.12 3.742 127 1489.50 3.728 161 1488.28 3.724 166 1482.67 3.710 133 751.71 1.881 81 746.22 1.868 93 740.84 1.854 92 734.38 1.838 85 548.95 1.374 457 545.78 1.366 323 544.31 1.362 285 542.24 1.357 382 368.65 0.923 406 367.55 0.920 198 365.97 0.916 157 363.89 0.911 220 361.57 0.905 1000 357.91 0.896 185 355.96 0.891 142 354.25 0.887 314
in D2O (at 49.C)
KBr disc
nujol mull
4880 A,200 M,powder
