DL-O-TYROSINE(2370-61-8) IR2
Product NameDL-O-TYROSINE
CAS2370-61-8
Molecular FormulaC9H11NO3
Molecular Weight181.19
InChIInChI=1S/C9H11NO3/c10-7(9(12)13)5-6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13)/t7-/m0/s1
InChIKey WRFPVMFCRNYQNR-ZETCQYMHSA-N
SmilesC(O)(=O)[C@H](CC1=CC=CC=C1O)N
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MassMS-NW-3341 2-hydroxy-DL-phenylalanine C9H11NO3 (Mass of molecular ion: 181)
Source Temperature: 220 °C Sample Temperature: 190 °C Direct, 75 eV
17.0 3.3 18.0 15.0 26.0 1.3 27.0 5.0 28.0 19.6 29.0 4.6 30.0 5.2 37.0 1.2 38.0 3.0 39.0 10.3 40.0 1.7 41.0 2.5 42.0 3.0 43.0 2.4 44.0 1.0 45.0 1.0 46.0 3.2 50.0 5.2 51.0 10.5 52.0 5.7 52.5 2.6 53.0 6.3 53.5 1.2 54.0 1.5 55.0 1.2 57.0 3.0 58.5 1.9 61.0 1.0 62.0 2.3 63.0 5.8 64.0 2.5 65.0 5.2 66.0 1.4 67.0 1.3 67.5 2.2 68.0 2.0 74.0 21.6 75.0 3.5 76.0 1.3 77.0 21.0 78.0 8.2 79.0 16.3 80.0 6.9 81.0 1.0 89.0 8.0 90.0 17.2 91.0 15.1 92.0 2.2 94.0 1.1 104.0 1.2 106.0 6.5 107.0 82.5 108.0 43.9 109.0 3.7 117.0 2.3 118.0 18.2 119.0 5.5 120.0 3.6 133.0 1.4 134.0 4.6 135.0 100.0 136.0 15.5 137.0 1.3 161.0 1.0 163.0 4.4 164.0 1.0 181.0 14.8 182.0 1.7
in DMSO-d6
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1H NMR 399.65 MHz C9 H11 N O3 saturated in DMSO-d6 2-hydroxy-DL-phenylalanine 
Assign. Shift(ppm)
A 7.105 B 7.056 C 6.73 D 6.71 E 3.43 F 3.4 G *1 3.086 J *1 2.769 SIGNAL F INCLUDES H2O
Hz ppm Int.2843.99 7.117 234 2842.65 7.113 262 2836.67 7.098 263 2835.33 7.095 281 2828.49 7.078 152 2826.90 7.074 132 2821.04 7.059 272 2819.46 7.055 241 2813.23 7.040 188 2811.52 7.035 155 2695.31 6.745 372 2687.87 6.726 471 2681.52 6.710 365 2680.54 6.708 288 2674.19 6.692 169 2673.10 6.689 138 1375.98 3.443 726 1374.63 3.440 681 1370.97 3.431 983 1368.41 3.425 836 1365.48 3.417 1000 1354.98 3.391 973 1242.92 3.111 182 1240.11 3.103 81 1236.82 3.095 173 1228.39 3.074 212 1222.66 3.060 189 1115.60 2.792 190 1113.40 2.786 87 1111.08 2.781 194 1101.20 2.756 167 1096.44 2.744 153
in DMSO-d6
KBr disc
nujol mull
