N-Carbobenzyloxy-D-asparagine(4474-86-6) MS
Product NameN-Carbobenzyloxy-D-asparagine
CAS4474-86-6
Molecular FormulaC12H14N2O5
Molecular Weight266.25
InChIInChI=1S/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)/t9-/m1/s1
InChIKey FUCKRCGERFLLHP-SECBINFHSA-N
SmilesC(O)(=O)[C@@H](CC(N)=O)NC(OCC1=CC=CC=C1)=O
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MassMS-NW-1952 N-benzyloxycarbonyl-D-asparagine C12H14N2O5 (Mass of molecular ion: 266)
Source Temperature: 210 °C Sample Temperature: 210 °C Direct, 75 eV
15.0 2.7 16.0 5.8 17.0 8.7 18.0 2.4 26.0 1.4 27.0 3.3 28.0 5.4 29.0 1.0 38.0 1.0 39.0 5.8 40.0 1.6 41.0 4.6 42.0 3.7 43.0 5.8 44.0 5.6 50.0 2.1 51.0 5.4 52.0 1.8 55.0 1.3 63.0 2.7 65.0 11.6 69.0 3.0 70.0 3.7 72.0 1.1 77.0 8.6 78.0 2.0 79.0 17.2 80.0 1.7 86.0 1.8 87.0 1.2 89.0 3.9 90.0 8.1 91.0 100.0 92.0 10.4 100.0 1.8 105.0 1.7 107.0 50.3 108.0 34.3 109.0 2.6 112.0 1.0 113.0 2.2 114.0 1.3 249.0 10.9 250.0 1.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H14 N2 O5 0.032 g : 0.5 ml DMSO-d6 N-benzyloxycarbonyl-D-asparagine 
Assign. Shift(ppm)
A 13. B 7.48 C *1 7.40 D 7.34 E *1 6.95 F 5.032 G 4.354 J *2 2.562 K *2 2.459
Hz ppm Int.2992.65 7.489 129 2984.31 7.468 133 2953.97 7.392 56 2946.49 7.373 302 2945.42 7.371 289 2944.14 7.367 313 2940.93 7.359 1000 2937.51 7.351 178 2935.81 7.346 153 2932.39 7.338 134 2930.04 7.332 109 2928.33 7.328 100 2925.12 7.320 77 2923.84 7.317 86 2919.14 7.305 45 2918.71 7.304 45 2777.89 6.951 102 2011.41 5.033 581 1750.93 4.382 42 1745.59 4.368 51 1743.02 4.362 82 1737.47 4.348 80 1734.90 4.342 56 1729.56 4.328 42 1036.80 2.595 49 1031.45 2.581 58 1021.20 2.556 101 1016.07 2.543 96 992.35 2.484 105 984.44 2.464 106 976.96 2.445 62 969.06 2.425 58
in DMSO-d6
KBr disc
