DL-Norvaline(760-78-1) IR2
Product NameDL-Norvaline
CAS760-78-1
Molecular FormulaC5H11NO2
Molecular Weight117.15
InChIInChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKey SNDPXSYFESPGGJ-BYPYZUCNSA-N
SmilesC(O)(=O)[C@H](CCC)N
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MassMS-NW-0334 DL-norvaline C5H11NO2 (Mass of molecular ion: 117)
Source Temperature: 190 °C Sample Temperature: 150 °C Direct, 75 eV
15.0 1.1 18.0 3.7 27.0 6.1 28.0 14.9 29.0 5.3 30.0 46.5 39.0 3.5 41.0 3.7 42.0 4.9 43.0 4.7 44.0 7.8 45.0 1.6 46.0 3.1 55.0 6.1 56.0 3.0 57.0 3.0 70.0 1.1 72.0 100.0 73.0 4.9 74.0 24.0 75.0 2.1
400 MHz in D2O
90 MHz in D2O
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1H NMR 399.65 MHz C5 H11 N O2 0.039 g : 0.5 ml D2O DL-norvaline 
Assign. Shift(ppm)
A 3.736 B 1.835 C 1.397 D 0.952 THE SOLVENT PEAK SUPPRESSED.
Hz ppm Int.1499.51 3.753 162 1494.02 3.739 192 1492.80 3.736 222 1487.18 3.722 163 747.68 1.871 75 745.73 1.866 41 740.84 1.854 148 738.65 1.849 115 735.60 1.841 99 733.40 1.836 190 731.32 1.830 175 725.10 1.815 159 718.02 1.797 80 574.71 1.439 30 571.66 1.431 73 569.82 1.426 61 567.50 1.420 84 564.58 1.413 123 561.28 1.405 132 557.50 1.395 142 554.32 1.388 143 550.54 1.378 109 547.97 1.372 94 543.95 1.362 70 540.65 1.353 36 537.35 1.345 30 387.57 0.970 523 380.25 0.952 1000 372.92 0.934 426
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1H NMR 89.56 MHz C5 H11 N O2 0.046 g : 0.5 ml D2O DL-norvaline Assign. Shift(ppm)
A 3.730 B 1.837 C 1.400 D 0.962 SOLVENT PEAK REMOVED
Hz ppm Int.340.50 3.802 215 334.63 3.737 443 328.50 3.668 280 176.63 1.973 85 174.94 1.954 99 169.63 1.895 228 168.19 1.878 213 164.50 1.837 229 160.69 1.795 361 154.50 1.726 254 148.13 1.654 36 143.63 1.604 81 140.63 1.571 56 137.38 1.534 126 135.75 1.516 157 128.88 1.440 254 125.50 1.402 167 123.56 1.380 187 121.25 1.354 219 119.75 1.338 201 113.88 1.272 190 107.25 1.198 98 91.50 1.022 702 84.81 0.947 1000 77.75 0.869 264
in D2O
KBr disc
nujol mull
