N-Boc-N'-Cbz-L-lysine(2389-45-9) 13C NMR
Product NameN-Boc-N'-Cbz-L-lysine
CAS2389-45-9
Molecular FormulaC19H28N2O6
Molecular Weight380.44
InChIInChI=1S/C19H28N2O6/c1-19(2,3)27-18(25)21-15(16(22)23)11-7-8-12-20-17(24)26-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1
InChIKey BDHUTRNYBGWPBL-HNNXBMFYSA-N
SmilesC(O)(=O)[C@H](CCCCNC(OCC1=CC=CC=C1)=O)NC(OC(C)(C)C)=O
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MassMS-IW-6664 N(6)-benzyloxycarbonyl-N(2)-tert-butoxycarbonyl-L-lysine C19H28N2O6 (Mass of molecular ion: 380)
Source Temperature: 190 °C Sample Temperature: 180 °C Direct, 75 eV
15.0 1.4 17.0 3.0 18.0 16.8 26.0 1.1 27.0 5.6 28.0 10.8 29.0 5.5 30.0 4.4 31.0 11.9 38.0 1.2 39.0 8.4 40.0 1.8 41.0 22.3 42.0 3.0 43.0 13.5 44.0 21.3 50.0 2.4 51.0 5.3 52.0 2.4 53.0 3.4 54.0 2.9 55.0 9.2 56.0 14.5 57.0 11.4 59.0 42.0 60.0 1.4 63.0 1.4 65.0 6.1 67.0 1.5 69.0 1.2 70.0 2.4 74.0 1.4 77.0 11.3 78.0 3.2 79.0 25.3 80.0 3.3 81.0 1.5 82.0 4.4 83.0 5.7 84.0 6.7 85.0 1.1 87.0 1.9 89.0 2.8 90.0 3.9 91.0 63.5 92.0 6.4 97.0 1.0 98.0 2.2 99.0 1.2 100.0 2.7 101.0 1.8 105.0 2.5 106.0 2.1 107.0 26.9 108.0 100.0 109.0 9.0 110.0 2.7 111.0 1.0 120.0 1.1 124.0 1.3 126.0 1.2 127.0 6.6 128.0 7.1 171.0 1.6 173.0 2.3 174.0 3.0 217.0 1.3 218.0 1.9 280.0 3.6 306.0 2.9 324.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C19 H28 N2 O6 0.041 g : 0.5 ml CDCl3 N(6)-benzyloxycarbonyl-N(2)-tert-butoxycarbonyl-L-lysine 
Assign. Shift(ppm)
A 10.3 B 7.34 C 7.31 D 6.40 D 6.36 E 5.33 E 5.04 F 5.088 F 5.143 G 4.30 G 4.09 J 3.17 K *1 1.82 L *1 1.69 M 1.51 N 1.431 MIXTURE OF CONFORMERS
Hz ppm Int.2936.40 7.348 255 2932.59 7.338 363 2924.96 7.319 62 2921.75 7.311 54 2916.72 7.299 36 2055.51 5.144 43 2033.54 5.089 180 1717.38 4.298 23 1272.74 3.185 60 1271.97 3.183 60 1269.84 3.178 54 1266.78 3.170 60 673.83 1.687 26 609.74 1.526 48 603.18 1.510 61 596.31 1.493 58 589.60 1.476 54 572.20 1.432 1000
in CDCl3
KBr disc
nujol mull
