DL-Glutamine (585-21-7) 13C NMR
Product NameDL-Glutamine
CAS585-21-7
Molecular FormulaC5H10N2O3
Molecular Weight146.14
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)
InChIKey ZDXPYRJPNDTMRX-UHFFFAOYSA-N
SmilesC(N)(C(=O)O)CCC(=O)N
90 MHz in D2O
400 MHz in D2O
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1H NMR 89.56 MHz C5 H10 N2 O3 0.046 g : 0.5 ml D2O DL-glutamine 
Assign. Shift(ppm)
A 3.781 B 2.45 C 2.14 SOLVENT PEAK REMOVED
Hz ppm Int.344.87 3.851 445 338.81 3.784 983 333.00 3.719 506 230.11 2.570 267 227.81 2.544 280 223.62 2.497 407 223.11 2.492 417 221.31 2.472 655 219.18 2.448 537 214.39 2.394 1000 213.20 2.381 835 201.92 2.255 520 200.63 2.241 413 196.11 2.190 696 194.82 2.176 567 191.32 2.137 330 187.90 2.099 471 181.32 2.025 165 179.19 2.001 131
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1H NMR 399.65 MHz C5 H10 N2 O3 0.040 g : 0.5 ml D2O DL-glutamine Assign. Shift(ppm)
A 4.178 B *1 2.501 C 2.398 D *1 2.039 THE SOLVENT PEAK SUPPRESSED.
Hz ppm Int.1677.61 4.198 379 1671.88 4.184 444 1668.82 4.176 426 1662.84 4.161 427 1020.51 2.554 85 1013.31 2.536 125 1011.84 2.532 206 1007.81 2.522 101 1004.64 2.514 256 1002.69 2.509 171 1001.59 2.507 140 998.78 2.500 194 995.61 2.492 170 992.31 2.483 209 989.26 2.476 149 983.28 2.461 203 977.05 2.445 53 972.66 2.434 34 966.19 2.418 1000 959.84 2.402 438 958.25 2.398 973 950.68 2.379 504 949.71 2.377 479 829.96 2.077 141 823.85 2.062 166 823.12 2.060 168 822.75 2.059 169 820.80 2.054 142 819.09 2.050 45 817.26 2.045 256 814.58 2.039 177 811.40 2.031 146 809.33 2.026 228 803.47 2.011 220 801.39 2.006 112 795.65 1.991 96
in D2O
KBr disc
nujol mull
