DL-Ornithine hydrochloride(1069-31-4) MS
Product NameDL-Ornithine hydrochloride
CAS1069-31-4
Molecular FormulaC5H13ClN2O2
Molecular Weight168.62
InChIInChI=1S/C5H12N2O2.ClH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H
InChIKey GGTYBZJRPHEQDG-UHFFFAOYSA-N
SmilesC(N)(CCCN)C(=O)O.Cl
-
MassMS-NW-8154 DL-ornithine hydrochloride C5H12N2O2 HCl (Mass of molecular ion: 132)
Source Temperature: 200 °C Sample Temperature: 190 °C Direct, 75 eV
15.0 2.0 17.0 4.5 18.0 25.5 26.0 1.2 27.0 5.8 28.0 30.9 29.0 8.4 30.0 57.6 31.0 2.9 35.0 6.0 36.0 66.9 37.0 2.2 38.0 21.9 39.0 5.2 40.0 2.1 41.0 16.3 42.0 14.6 43.0 67.6 44.0 10.9 45.0 4.8 52.0 1.1 53.0 1.6 54.0 2.9 55.0 2.4 56.0 57.9 57.0 17.8 58.0 34.1 59.0 2.8 67.0 1.1 68.0 8.1 69.0 100.0 70.0 48.3 71.0 3.7 74.0 2.6 75.0 8.4 85.0 5.8 86.0 6.8 87.0 7.2 96.0 1.4 97.0 2.7 103.0 3.2 114.0 3.2 115.0 2.7
400 MHz in D2O
-
1H NMR 399.65 MHz C5 H12 N2 O2 0.035 g : 0.5 ml D2O DL-ornithine hydrochloride 
Assign. Shift(ppm)
A 3.802 B 3.070 C 1.95 D *1 1.85 E *1 1.77 SOLVENT PEAK SUPPRESSED
Hz ppm Int.1525.27 3.817 281 1519.41 3.802 561 1513.31 3.787 276 1234.50 3.089 526 1226.93 3.071 1000 1219.48 3.052 542 793.46 1.986 121 791.14 1.980 127 786.87 1.969 220 784.18 1.963 321 781.49 1.956 249 775.88 1.942 401 770.14 1.928 232 765.63 1.916 30 764.40 1.913 41 764.04 1.912 43 761.84 1.907 51 757.20 1.895 64 750.24 1.878 95 747.31 1.870 33 744.87 1.864 86 742.68 1.859 112 737.79 1.847 157 735.72 1.841 110 730.47 1.828 147 728.76 1.824 142 725.71 1.816 38 721.44 1.806 145 714.72 1.789 132 711.91 1.782 78 708.86 1.774 132 706.18 1.767 92 705.69 1.766 94 704.59 1.764 106 701.54 1.756 114 698.24 1.748 91 694.58 1.738 82 692.87 1.734 73 690.92 1.729 50 686.89 1.719 38 685.18 1.715 54
in D2O
KBr disc
nujol mull
