Nalpha-FMOC-L-Tryptophan(35737-15-6) 13C NMR
Product NameNalpha-FMOC-L-Tryptophan
CAS35737-15-6
Molecular FormulaC26H22N2O4
Molecular Weight426.46
InChIInChI=1S/C26H22N2O4/c29-25(30)24(13-16-14-27-23-12-6-5-7-17(16)23)28-26(31)32-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,14,22,24,27H,13,15H2,(H,28,31)(H,29,30)/t24-/m0/s1
InChIKey MGHMWKZOLAAOTD-DEOSSOPVSA-N
SmilesC(O)(=O)[C@H](CC1C2=C(C=CC=C2)NC=1)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
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MassMS-IW-3615 N(alpha)-(9-fluorenylmethoxycarbonyl)-L-tryptophane C26H22N2O4 (Mass of molecular ion: 426)
Source Temperature: 180 °C Sample Temperature: 190 °C Direct, 75 eV
17.0 1.1 18.0 5.7 28.0 3.5 31.0 1.1 39.0 1.6 43.0 3.6 44.0 2.4 50.0 1.3 51.0 2.7 52.0 1.0 57.0 1.3 58.0 1.0 62.0 1.3 63.0 3.2 65.0 1.1 69.5 1.2 74.0 1.6 75.0 2.2 76.0 2.9 77.0 7.3 78.0 1.0 81.5 1.0 82.5 1.5 87.0 1.5 88.0 3.1 89.0 2.4 102.0 3.3 103.0 5.8 115.0 3.2 128.0 2.1 129.0 3.5 130.0 100.0 131.0 10.6 139.0 3.8 151.0 1.1 152.0 1.6 162.0 1.0 163.0 8.3 164.0 7.3 165.0 70.6 166.0 52.3 167.0 7.5 176.0 2.5 177.0 1.8 178.0 12.8 179.0 2.4 196.0 22.1 197.0 3.4 230.0 9.4 231.0 1.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C26 H22 N2 O4 0.050 g : 0.5 ml DMSO-d6 N(alpha)-(9-fluorenylmethoxycarbonyl)-L-tryptophane 
Assign. Shift(ppm)
A 10.89 B 7.875 C 7.74 D *1 7.692 E *1 7.668 F 7.605 G *2 7.42 J *2 7.40 K 7.385 L *3 7.328 M *3 7.287 N 7.221 P 7.099 R 7.018 S 4.30 T 4.23 U 4.20 V *4 3.251 W *4 3.080 ASSIGNED BY H-H COSY AND ADDITION OF D2O. J(A,N)=2.1HZ J(C,S)=8.2HZ J(D,L)=7.5HZ J(E,M)=7.6HZ J(F,R)=7.8HZ J(S,V)=4.4HZ J(S,W)=9.9HZ J(V,W)=-14.8HZ
Hz ppm Int.4352.57 10.891 396 3151.55 7.886 707 3143.92 7.867 779 3096.01 7.747 404 3087.77 7.727 430 3083.04 7.715 61 3078.31 7.703 401 3070.83 7.684 486 3068.24 7.678 465 3060.61 7.659 447 3043.52 7.616 416 3035.74 7.596 422 2972.11 7.437 205 2965.39 7.420 505 2964.78 7.419 505 2959.29 7.405 567 2955.63 7.396 625 2952.58 7.388 371 2951.97 7.387 370 2947.39 7.375 588 2942.20 7.362 85 2941.89 7.362 85 2939.15 7.355 61 2936.55 7.348 272 2935.49 7.346 299 2929.08 7.330 404 2928.01 7.327 437 2923.74 7.316 69 2920.07 7.307 370 2919.01 7.304 318 2915.50 7.296 73 2912.45 7.288 423 2911.53 7.286 461 2904.97 7.269 205 2904.05 7.267 218 2887.27 7.225 635 2885.13 7.220 636 2877.66 7.201 62 2875.98 7.197 53 2874.91 7.194 50 2845.92 7.122 211 2845.00 7.119 222 2842.25 7.112 64 2837.98 7.102 414 2833.40 7.090 62 2830.81 7.084 257 2829.90 7.081 262 2811.58 7.036 275 2810.82 7.034 295 2803.80 7.016 415 2799.07 7.004 50 2796.78 6.999 185 2796.02 6.997 193 1728.67 4.326 119 1724.24 4.315 136 1719.21 4.302 201 1715.85 4.294 191 1714.78 4.291 185 1710.97 4.282 161 1706.24 4.270 144 1697.69 4.248 248 1694.49 4.240 336 1689.15 4.227 1000 1682.28 4.210 451 1679.69 4.203 273 1676.94 4.197 230 1674.19 4.190 170 1668.70 4.176 100 1392.21 3.484 72 1310.27 3.279 176 1305.85 3.268 211 1300.05 3.253 69 1295.62 3.242 262 1291.20 3.231 255 1242.52 3.110 214 1237.03 3.096 48 1232.60 3.085 222 1227.72 3.072 183 1218.11 3.048 168
in DMSO-d6
KBr disc
nujol mull
