BOC-L-Asparagine(7536-55-2) MS
Product NameBOC-L-Asparagine
CAS7536-55-2
Molecular FormulaC9H16N2O5
Molecular Weight232.23
InChIInChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)/t5-/m0/s1
InChIKey FYYSQDHBALBGHX-YFKPBYRVSA-N
SmilesC(O)(=O)[C@H](CC(N)=O)NC(OC(C)(C)C)=O
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MassMS-IW-6138 N-tert-butoxycarbonyl-L-asparagine C9H16N2O5 (Mass of molecular ion: 232)
Source Temperature: 160 °C Sample Temperature: 170 °C Direct, 75 eV
15.0 3.3 16.0 2.0 17.0 4.0 18.0 39.9 26.0 3.9 27.0 12.0 28.0 18.9 29.0 19.7 30.0 2.3 31.0 12.7 38.0 2.1 39.0 16.4 40.0 6.2 41.0 72.8 42.0 15.0 43.0 35.8 44.0 59.3 45.0 5.5 50.0 1.9 51.0 2.4 52.0 1.4 53.0 3.6 54.0 2.3 55.0 14.7 56.0 31.6 57.0 97.5 58.0 6.3 59.0 76.0 60.0 6.1 62.0 1.1 68.0 1.1 69.0 3.2 70.0 26.9 71.0 5.3 72.0 3.9 73.0 2.0 74.0 3.3 86.0 11.8 87.0 100.0 88.0 14.3 89.0 1.5 96.0 2.3 97.0 4.4 98.0 1.4 99.0 2.8 112.0 1.9 113.0 11.8 114.0 11.2 115.0 5.9 116.0 1.7 131.0 40.7 132.0 47.1 133.0 8.4 141.0 5.4 142.0 3.2 158.0 1.6 159.0 26.9 160.0 2.7 176.0 22.9 177.0 7.0 187.0 14.1 188.0 1.7
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H16 N2 O5 0.042 g : 0.5 ml DMSO-d6 N-tert-butoxycarbonyl-L-asparagine 
Assign. Shift(ppm)
A 12.5 B 7.33 C 6.92 D 6.87 E 4.234 F *1 2.49 G *1 2.435 J 1.378
Hz ppm Int.2928.47 7.328 54 2928.10 7.327 54 2765.26 6.920 50 2749.88 6.881 52 2741.64 6.861 53 1696.30 4.245 32 1690.44 4.230 31 1688.43 4.225 26 1006.87 2.520 27 1005.22 2.516 60 1003.39 2.511 64 1001.55 2.507 46 999.72 2.502 25 995.14 2.491 51 989.65 2.477 49 981.77 2.457 46 974.26 2.438 44 550.78 1.379 1000
in DMSO-d6
KBr disc
nujol mull
