Nalpha-FMOC-L-Glutamine(71989-20-3) IR1
Product NameNalpha-FMOC-L-Glutamine
CAS71989-20-3
Molecular FormulaC20H20N2O5
Molecular Weight368.38
InChIInChI=1S/C20H20N2O5/c21-18(23)10-9-17(19(24)25)22-20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H2,21,23)(H,22,26)(H,24,25)/t17-/m0/s1
InChIKey IZKGGDFLLNVXNZ-KRWDZBQOSA-N
SmilesC(O)(=O)[C@H](CCC(N)=O)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
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MassMS-IW-3613 N(2)-(9-fluorenylmethoxycarbonyl)-L-glutamine C20H20N2O5 (Mass of molecular ion: 368)
Source Temperature: 170 °C Sample Temperature: 160 °C Direct, 75 eV
17.0 1.0 18.0 4.6 27.0 1.9 28.0 6.2 29.0 2.1 30.0 1.2 31.0 2.7 39.0 1.8 41.0 2.5 42.0 1.9 43.0 2.2 44.0 10.8 45.0 2.0 51.0 1.1 54.0 1.0 55.0 2.2 56.0 4.7 57.0 2.2 59.0 15.8 62.0 1.1 63.0 3.3 69.5 1.4 72.0 2.2 73.0 3.2 74.0 2.0 75.0 2.4 76.0 4.7 81.5 1.3 82.0 2.2 82.5 2.2 83.0 3.7 84.0 6.0 86.0 1.2 87.0 2.3 88.0 5.2 89.0 5.0 98.0 1.1 99.0 1.0 100.0 3.9 101.0 2.5 111.0 1.1 113.0 1.1 115.0 3.2 126.0 1.8 127.0 1.0 128.0 1.5 139.0 5.2 150.0 2.2 151.0 3.5 152.0 4.6 155.0 1.2 162.0 1.5 163.0 11.6 164.0 10.2 165.0 100.0 166.0 76.4 167.0 10.5 175.0 1.3 176.0 8.5 177.0 6.2 178.0 84.5 179.0 16.1 180.0 1.6 196.0 32.1 197.0 5.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C20 H20 N2 O5 0.040 g : 0.5 ml DMSO-d6 N(2)-(9-fluorenylmethoxycarbonyl)-L-glutamine 
Assign. Shift(ppm)
A 12.7 B 7.902 C 7.750 D 7.72 E 7.429 F 7.35 G 6.83 J 4.28 K 4.25 L 3.989 M 2.20 N *1 2.022 P *1 1.808
Hz ppm Int.5059.79 12.661 77 3162.19 7.913 899 3154.68 7.894 969 3101.56 7.761 681 3094.05 7.742 762 3088.00 7.727 409 3079.94 7.707 404 3062.18 7.663 44 3061.81 7.662 44 3061.44 7.661 44 3060.71 7.659 45 3060.35 7.658 45 3059.98 7.657 45 3059.61 7.656 45 3056.87 7.649 47 3056.13 7.648 47 3054.30 7.643 43 2977.37 7.450 440 2970.04 7.432 981 2962.53 7.413 619 2955.39 7.395 35 2945.50 7.371 621 2944.58 7.368 552 2937.99 7.352 1000 2937.07 7.350 923 2931.76 7.336 471 2930.66 7.334 562 2921.69 7.311 57 2746.03 6.872 38 2744.93 6.869 39 2744.20 6.867 39 2743.83 6.866 39 2743.47 6.865 39 2743.10 6.864 39 2742.74 6.863 39 2742.19 6.862 38 2741.82 6.861 38 2741.45 6.860 39 2740.90 6.859 39 2740.54 6.858 40 2729.91 6.831 297 1731.84 4.334 44 1721.95 4.309 287 1717.92 4.299 346 1713.89 4.289 609 1712.24 4.285 609 1701.80 4.259 476 1694.84 4.241 278 1687.88 4.224 136 1683.67 4.213 59 1682.93 4.212 57 1682.57 4.211 57 1682.20 4.210 57 1679.09 4.202 42 1606.00 4.019 106 1601.24 4.007 133 1596.85 3.996 189 1592.82 3.986 176 1592.27 3.985 176 1588.60 3.975 136 1583.84 3.964 109 901.36 2.256 30 900.63 2.254 30 900.08 2.253 30 888.36 2.223 311 880.66 2.204 652 873.15 2.185 386 824.62 2.064 63 824.25 2.063 63 822.42 2.058 49 819.49 2.051 83 816.74 2.044 105 811.24 2.030 155 805.93 2.017 109 803.19 2.010 164 798.24 1.998 122 790.36 1.978 46 740.36 1.853 56 739.99 1.852 56 732.67 1.834 113 725.71 1.816 122 723.87 1.812 141 719.11 1.800 127 716.73 1.794 116 709.77 1.776 106 704.82 1.764 31 702.26 1.758 44
in DMSO-d6
KBr disc
nujol mull
