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MassMS-NW-2555 N(alpha)-benzyloxycarbonyl-DL-histidine C14H15N3O4 (Mass of molecular ion: 289)
Source Temperature: 250 °C Sample Temperature: 210 °C Direct, 75 eV
16.0 1.6 17.0 1.6 18.0 7.6 26.0 4.1 27.0 8.5 28.0 23.9 29.0 4.8 30.0 1.3 31.0 3.0 37.0 2.5 38.0 4.7 39.0 14.9 40.0 4.1 41.0 5.3 42.0 3.6 43.0 2.8 44.0 44.2 45.0 1.0 49.0 1.1 50.0 8.7 51.0 20.6 52.0 9.6 53.0 9.5 53.5 1.5 54.0 16.7 55.0 8.6 57.0 2.0 61.0 1.1 62.0 2.1 63.0 5.5 64.0 1.7 65.0 9.4 66.0 2.7 67.0 1.3 68.0 1.1 69.0 1.4 73.0 1.0 74.0 2.9 75.0 1.6 76.0 1.5 77.0 48.9 78.0 11.4 79.0 100.0 80.0 11.9 81.0 99.2 82.0 34.4 83.0 2.3 89.0 6.3 90.0 8.4 91.0 32.4 92.0 3.7 93.0 1.6 94.0 1.6 105.0 4.2 106.0 1.6 107.0 64.8 108.0 88.1 109.0 40.1 110.0 5.4 120.0 1.3 135.0 3.0 136.0 3.6 137.0 9.2 138.0 4.7 171.0 2.0 181.0 3.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C14 H15 N3 O4 0.035 g : 0.5 ml DMSO-d6 N(alpha)-benzyloxycarbonyl-DL-histidine 
Assign. Shift(ppm)
A 7.668 B 7.53 C 7.36 to 7.27 D 6.856 E 6.7 F 5.007 G 4.231 J *1 2.970 K *1 2.868 J(B,G)=8.4HZ J(G,J)=5.1HZ J(G,K)=9.0HZ J(J,K)=-15.1HZ
Hz ppm Int.3064.58 7.669 539 3013.43 7.541 258 3005.25 7.520 258 2948.61 7.378 160 2941.53 7.361 394 2940.06 7.357 393 2937.62 7.351 266 2934.33 7.343 715 2928.71 7.329 963 2922.12 7.312 435 2919.56 7.306 363 2739.99 6.856 469 2012.08 5.035 43 2010.13 5.030 55 2009.64 5.029 56 2009.28 5.028 57 2008.54 5.026 64 2000.98 5.007 1000 1705.44 4.268 32 1701.54 4.258 98 1699.58 4.253 68 1696.66 4.246 120 1695.43 4.243 104 1693.24 4.237 172 1688.48 4.225 162 1684.94 4.217 106 1679.93 4.204 78 1199.34 3.001 93 1199.10 3.001 93 1197.02 2.996 59 1194.34 2.989 107 1190.92 2.980 45 1190.19 2.979 44 1184.45 2.964 181 1179.57 2.952 167 1173.34 2.936 34 1171.75 2.932 31 1171.14 2.931 30 1156.25 2.894 165 1147.46 2.872 175 1143.92 2.863 71 1141.60 2.857 112 1137.82 2.848 42 1136.84 2.845 41 1136.35 2.844 40 1132.81 2.835 101
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
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