Methyl L-tyrosinate hydrochloride(3417-91-2) MS
Product NameMethyl L-tyrosinate hydrochloride
CAS3417-91-2
Molecular FormulaC10H14ClNO3
Molecular Weight231.68
InChIInChI=1/C10H13NO3.ClH/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/s3
InChIKey VXYFARNRGZWHTJ-OVMXBOEKNA-N
SmilesC1(C=CC(O)=CC=1)C[C@H](N)C(=O)OC.Cl |&1:8,r|
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MassMS-NW-7008 L-tyrosine methyl ester hydrochloride C10H13NO3 HCl (Mass of molecular ion: 195)
Source Temperature: 190 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 2.8 18.0 1.5 27.0 1.9 28.0 6.8 29.0 1.6 30.0 1.2 33.0 8.4 35.0 2.2 36.0 12.6 38.0 4.2 39.0 3.8 41.0 1.0 42.0 2.0 43.0 2.0 50.0 1.1 51.0 3.3 52.0 1.9 53.0 2.9 55.0 1.4 57.0 2.7 60.0 2.3 63.0 1.6 65.0 2.7 67.5 1.7 68.0 4.3 74.0 4.9 77.0 10.1 78.0 2.9 79.0 2.9 80.0 1.5 81.0 1.0 88.0 40.1 89.0 10.2 90.0 1.4 91.0 11.4 92.0 1.2 94.0 1.2 106.0 2.2 107.0 100.0 108.0 41.9 109.0 3.9 118.0 1.3 119.0 3.4 120.0 1.5 134.0 1.9 135.0 4.3 136.0 28.2 137.0 2.8 195.0 12.2 196.0 1.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H13 N O3 0.038 g : 0.5 ml DMSO-d6 L-tyrosine methyl ester hydrochloride 
Assign. Shift(ppm)
A 9.56 B 8.74 C 7.016 D 6.751 E 4.129 F 3.660 G *1 3.104 J *1 3.016
Hz ppm Int.3820.80 9.561 49 3493.35 8.742 128 2808.69 7.028 274 2800.60 7.008 318 2702.18 6.762 324 2693.94 6.741 289 1656.80 4.146 80 1650.39 4.130 144 1644.29 4.115 83 1462.71 3.660 1000 1252.44 3.134 52 1246.95 3.121 55 1238.25 3.099 105 1232.91 3.085 96 1213.99 3.038 98 1206.82 3.020 98 1199.95 3.003 57 1192.78 2.985 50
in D2O
in DMSO-d6
KBr disc
nujol mull
