N-Cbz-L-Threonine(19728-63-3) MS
Product NameN-Cbz-L-Threonine
CAS19728-63-3
Molecular FormulaC12H15NO5
Molecular Weight253.25
InChIInChI=1S/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8-,10+/m1/s1
InChIKey IPJUIRDNBFZGQN-SCZZXKLOSA-N
SmilesC(O)(=O)[C@H]([C@H](O)C)NC(OCC1=CC=CC=C1)=O
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MassMS-IW-5814 N-benzyloxycarbonyl-L-threonine C12H15NO5 (Mass of molecular ion: 253)
Source Temperature: 180 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 1.0 18.0 5.3 27.0 3.0 28.0 14.3 29.0 4.3 30.0 1.1 39.0 3.8 41.0 1.3 43.0 3.4 44.0 7.1 45.0 7.2 50.0 2.3 51.0 5.7 52.0 1.9 53.0 2.2 54.0 1.7 55.0 1.2 56.0 14.8 57.0 2.3 63.0 2.0 65.0 7.0 73.0 1.9 74.0 4.8 75.0 1.2 77.0 15.0 78.0 3.7 79.0 32.2 80.0 3.1 83.0 2.7 84.0 1.2 89.0 3.8 90.0 4.8 91.0 100.0 92.0 12.6 100.0 31.5 101.0 6.7 105.0 2.3 106.0 1.0 107.0 30.6 108.0 44.4 109.0 3.5 118.0 1.1 148.0 18.4 149.0 1.9 164.0 1.1 191.0 1.5 209.0 9.7 210.0 1.2 253.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H15 N O5 0.041 g : 0.5 ml DMSO-d6 N-benzyloxycarbonyl-L-threonine 
Assign. Shift(ppm)
A 7.38 B 7.33 C 6.98 D 5.064 E 4.099 F 3.980 G 1.106
Hz ppm Int.2950.20 7.382 761 2945.80 7.371 892 2940.31 7.358 91 2937.01 7.349 122 2933.11 7.340 136 2928.96 7.329 169 2927.12 7.325 121 2924.68 7.319 150 2922.36 7.313 78 2920.41 7.308 82 2916.87 7.299 32 2915.89 7.297 35 2795.41 6.995 158 2786.50 6.973 163 2024.05 5.065 1000 1643.19 4.112 82 1639.77 4.104 93 1636.84 4.096 88 1633.30 4.087 95 1627.08 4.072 36 1596.92 3.996 139 1593.51 3.988 131 1590.58 3.980 41 1588.01 3.974 146 1584.47 3.965 130 445.19 1.114 628 438.84 1.099 584
in DMSO-d6
KBr disc
nujol mull
