L-Methionine methyl ester hydrochloride(2491-18-1) IR2
Product NameL-Methionine methyl ester hydrochloride
CAS2491-18-1
Molecular FormulaC6H14ClNO2S
Molecular Weight199.7
InChIInChI=1/C6H13NO2S.ClH/c1-9-6(8)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3;1H/t5-;/s3
InChIKey MEVUPUNLVKELNV-USHJBNIQNA-N
Smiles[C@H](N)(CCSC)C(=O)OC.Cl |&1:0,r|
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MassMS-NW-7009 L-methionine methyl ester hydrochloride C6H13NO2S HCl (Mass of molecular ion: 163)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 12.1 18.0 1.8 27.0 8.8 28.0 25.3 29.0 6.2 30.0 9.4 33.0 13.3 35.0 7.7 36.0 28.5 37.0 1.9 38.0 9.7 39.0 2.5 41.0 6.4 42.0 10.5 43.0 6.5 44.0 1.9 45.0 7.6 46.0 3.4 47.0 7.4 48.0 2.2 49.0 2.0 52.0 1.2 54.0 5.9 55.0 7.8 56.0 72.0 57.0 8.4 58.0 1.2 59.0 4.3 60.0 3.1 61.0 100.0 62.0 3.6 63.0 4.7 70.0 1.2 74.0 9.2 75.0 11.5 83.0 18.3 84.0 1.4 87.0 4.5 88.0 25.3 89.0 6.9 100.0 8.4 101.0 1.1 102.0 2.8 104.0 47.9 105.0 2.9 106.0 2.3 114.0 5.6 115.0 20.7 116.0 9.7 131.0 13.4 146.0 2.2 148.0 1.1 163.0 36.0 164.0 3.5 165.0 2.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H13 N O2 S 0.037 g : 0.5 ml DMSO-d6 L-methionine methyl ester hydrochloride 
Assign. Shift(ppm)
A 8.8 B 4.081 C 3.749 D *1 2.672 E *1 2.57 F 2.12 G 2.058 SIGNAL E OVERLAPPED BY SOLVENT PEAK
Hz ppm Int.3536.07 8.848 56 1637.57 4.098 76 1631.47 4.083 143 1625.21 4.067 68 1498.41 3.750 887 1076.51 2.694 52 1069.79 2.677 69 1066.44 2.669 49 1063.08 2.661 81 1055.30 2.641 47 1038.36 2.599 50 1030.58 2.579 80 1023.71 2.562 70 1016.54 2.544 54 858.76 2.149 56 852.36 2.133 111 846.25 2.118 138 839.54 2.101 127 832.82 2.084 98 822.60 2.059 1000
D2O
in DMSO-d6
KBr disc
nujol mull
