N-Acetyl-L-tyrosine(537-55-3) MS
Product NameN-Acetyl-L-tyrosine
CAS537-55-3
Molecular FormulaC11H13NO4
Molecular Weight223.23
InChIInChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1
InChIKey CAHKINHBCWCHCF-JTQLQIEISA-N
SmilesC(O)(=O)[C@H](CC1=CC=C(O)C=C1)NC(C)=O
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MassMS-IW-9298 N-acetyl-L-tyrosine C11H13NO4 (Mass of molecular ion: 223)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 1.3 18.0 1.4 27.0 1.3 28.0 3.5 39.0 2.3 42.0 1.0 43.0 17.4 44.0 1.8 51.0 2.0 52.0 1.2 53.0 2.0 55.0 1.0 60.0 8.6 65.0 1.5 74.0 3.9 77.0 8.1 78.0 1.8 79.0 1.8 91.0 3.5 107.0 100.0 108.0 9.0 118.0 1.8 119.0 1.8 120.0 2.1 134.0 1.1 135.0 1.9 136.0 4.1 147.0 4.0 163.0 5.3 164.0 67.2 165.0 6.7 223.0 4.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C11 H13 N O4 0.037 g : 0.5 ml DMSO-d6 N-acetyl-L-tyrosine 
Assign. Shift(ppm)
A 12.6 B 9.22 C 8.14 D 7.014 E 6.663 F 4.321 G *1 2.913 J *1 2.721 K 1.791
Hz ppm Int.3684.76 9.220 34 3254.69 8.144 91 3246.63 8.124 93 2807.76 7.026 208 2805.74 7.021 78 2801.17 7.010 78 2799.15 7.005 234 2796.40 6.998 30 2669.83 6.681 36 2666.90 6.674 278 2664.89 6.669 89 2660.49 6.658 81 2658.48 6.653 254 1733.49 4.338 36 1730.37 4.330 39 1729.27 4.327 48 1725.43 4.318 44 1724.15 4.315 41 1721.03 4.307 38 1174.65 2.940 41 1169.70 2.927 42 1160.91 2.905 56 1155.78 2.892 52 1098.27 2.749 56 1088.92 2.725 57 1084.35 2.714 44 1075.00 2.690 40 715.81 1.792 1000
in DMSO-d6
KBr disc
nujol mull
