Cbz-Gly-L-Tyr-OBzl(57294-46-9) 13C NMR
Product NameCbz-Gly-L-Tyr-OBzl
CAS57294-46-9
Molecular FormulaC26H26N2O6
Molecular Weight462.49
InChIInChI=1S/C26H26N2O6/c29-22-13-11-19(12-14-22)15-23(25(31)33-17-20-7-3-1-4-8-20)28-24(30)16-27-26(32)34-18-21-9-5-2-6-10-21/h1-14,23,29H,15-18H2,(H,27,32)(H,28,30)/t23-/m0/s1
InChIKey DABILGXQXJZFSM-QHCPKHFHSA-N
SmilesC(OCC1=CC=CC=C1)(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)CNC(OCC1=CC=CC=C1)=O
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MassMS-NW-2354 N-benzyloxycarbonyl-glycyl-L-tyrosine benzyl ester C26H26N2O6 (Mass of molecular ion: 462)
Source Temperature: 240 °C Sample Temperature: 240 °C Direct, 75 eV
17.0 3.7 18.0 18.3 26.0 2.3 27.0 7.2 28.0 48.6 29.0 4.1 30.0 7.5 31.0 3.4 37.0 1.2 38.0 3.0 39.0 12.4 40.0 1.6 41.0 3.6 42.0 2.0 43.0 4.8 44.0 12.5 50.0 6.1 51.0 11.9 52.0 5.5 53.0 3.4 55.0 2.2 56.0 5.5 57.0 1.4 61.0 1.2 62.0 2.8 63.0 6.9 64.0 2.2 65.0 22.0 66.0 1.8 73.0 1.1 74.0 1.7 75.0 1.9 76.0 1.5 77.0 22.2 78.0 9.4 79.0 29.2 80.0 3.1 85.0 1.4 89.0 6.7 90.0 6.4 91.0 100.0 92.0 13.4 93.0 1.2 94.0 1.3 101.0 4.8 103.0 1.1 104.0 1.4 105.0 3.5 106.0 5.7 107.0 67.9 108.0 28.3 109.0 2.5 114.0 1.3 115.0 1.2 116.0 1.5 117.0 1.2 118.0 2.8 119.0 5.7 120.0 13.8 121.0 1.8 131.0 1.4 132.0 1.6 133.0 4.1 134.0 2.6 135.0 3.8 136.0 5.4 144.0 2.1 145.0 1.6 146.0 1.6 147.0 12.4 148.0 3.6 160.0 2.2 161.0 3.5 162.0 5.0 163.0 2.6 164.0 2.7 165.0 2.2 174.0 2.4 189.0 1.2 194.0 1.2 195.0 1.0 197.0 1.1 208.0 6.9 209.0 17.6 210.0 3.0 218.0 3.6 219.0 14.5 220.0 2.4 236.0 2.4 245.0 2.8 254.0 28.1 255.0 5.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C26 H26 N2 O6 0.031 g : 0.5 ml CDCl3 N-benzyloxycarbonyl-glycyl-L-tyrosine benzyl ester 
Assign. Shift(ppm)
A 7.33 to 7.30 B 6.775 C 6.593 D 5.67 E *1 5.150 F *1 5.08 G 5.054 J 4.85 K 3.762 L 2.95
Hz ppm Int.2948.85 7.379 38 2948.24 7.378 39 2947.75 7.376 41 2945.43 7.371 74 2943.24 7.365 80 2941.65 7.361 106 2939.33 7.355 114 2936.89 7.349 281 2935.79 7.346 235 2934.94 7.344 242 2933.47 7.341 241 2930.91 7.334 510 2929.69 7.331 665 2927.12 7.325 299 2925.42 7.320 361 2924.56 7.318 400 2920.78 7.309 805 2918.58 7.303 1000 2913.33 7.290 402 2911.50 7.286 308 2907.10 7.275 121 2724.85 6.819 77 2716.67 6.798 83 2703.74 6.766 148 2695.56 6.745 173 2647.09 6.624 30 2645.51 6.620 37 2638.55 6.603 403 2630.13 6.582 305 2273.68 5.690 50 2273.32 5.689 49 2272.46 5.687 50 2268.55 5.677 79 2268.19 5.676 79 2263.67 5.665 51 2263.06 5.663 50 2262.45 5.662 50 2067.02 5.173 171 2054.93 5.142 324 2038.21 5.100 30 2032.10 5.085 307 2027.95 5.075 50 2019.78 5.054 604 2012.82 5.037 33 2007.32 5.023 34 1946.66 4.871 34 1946.04 4.870 38 1945.43 4.868 38 1944.82 4.867 39 1944.21 4.865 37 1943.73 4.864 37 1939.94 4.855 70 1936.89 4.847 58 1935.91 4.845 57 1932.98 4.837 71 1932.50 4.836 71 1928.47 4.826 38 1927.86 4.824 38 1926.76 4.822 39 1926.27 4.820 39 1507.45 3.772 106 1503.42 3.762 142 1500.24 3.754 108 1492.43 3.735 32 1204.47 3.014 33 1203.98 3.013 33 1195.43 2.992 67 1195.07 2.991 67 1192.87 2.985 58 1191.28 2.981 63 1190.80 2.980 66 1189.94 2.978 66 1186.40 2.969 39 1185.91 2.968 37 1184.69 2.965 36 1183.84 2.963 37 1179.81 2.953 87 1173.83 2.938 91 1169.07 2.926 41 1168.58 2.925 41 1168.21 2.924 43 1166.26 2.919 57 1165.65 2.917 58 1162.60 2.910 35 1162.23 2.909 36 1161.87 2.908 36 1159.91 2.903 48
in CDCl3
KBr disc
nujol mull
