L-Glutamic acid 5-methyl ester (1499-55-4) IR1
Product NameL-Glutamic acid 5-methyl ester
CAS1499-55-4
Molecular FormulaC6H11NO4
Molecular Weight161.16
InChIInChI=1S/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
InChIKey ZGEYCCHDTIDZAE-BYPYZUCNSA-N
SmilesC(O)(=O)[C@H](CCC(OC)=O)N
-
MassMS2007-03649WA 5-methyl L-glutamate C6H11NO4 (Mass of molecular ion: 161)
Source Temperature: 240 °C Sample Temperature: 25 °C Direct, 70 eV comment:
15.0 4.9 18.0 3.9 27.0 3.8 28.0 22.8 28.5 1.4 29.0 5.4 30.0 6.2 31.0 3.1 32.0 1.5 39.0 2.4 41.0 25.0 42.0 6.4 42.5 1.5 43.0 6.8 44.0 2.6 45.0 3.4 46.0 2.8 54.0 3.0 55.0 5.4 56.0 44.7 57.0 6.8 59.0 3.1 70.0 1.5 71.0 1.3 74.0 19.1 75.0 1.6 82.0 1.1 83.0 1.9 84.0 100.0 85.0 5.6 87.0 6.2 88.0 3.2 98.0 4.7 99.0 1.1 100.0 6.7 101.0 5.6 102.0 3.2 115.0 3.6 116.0 70.3 117.0 4.3 129.0 2.7 130.0 11.0 143.0 5.7 162.0 1.3
400 MHz in D2O
-
1H NMR 399.65 MHz C6 H11 N O4 0.039 g : 0.5 ml D2O 5-methyl L-glutamate 
Assign. Shift(ppm)
A 3.776 B 3.714 C 2.58 D 2.16 SOLVENT PEAK REMOVED
Hz ppm Int.1515.63 3.793 87 1509.16 3.777 177 1502.69 3.761 91 1484.25 3.714 1000 1039.92 2.603 66 1036.01 2.593 68 1032.35 2.584 113 1030.27 2.578 53 1028.56 2.574 133 1024.41 2.564 79 1021.24 2.556 78 876.83 2.194 51 872.44 2.184 51 870.61 2.179 71 869.75 2.177 72 869.02 2.175 66 865.60 2.166 84 864.14 2.163 81 863.53 2.161 82 862.67 2.159 77 859.01 2.150 53 857.54 2.146 78 855.71 2.142 47 850.59 2.129 46
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
