Boc-Lys-OH(13734-28-6) 13C NMR
Product NameBoc-Lys-OH
CAS13734-28-6
Molecular FormulaC11H22N2O4
Molecular Weight246.3
InChIInChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)13-8(9(14)15)6-4-5-7-12/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChIKey DQUHYEDEGRNAFO-QMMMGPOBSA-N
SmilesC(O)(=O)[C@H](CCCCN)NC(OC(C)(C)C)=O
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MassMS-IW-6993 N(2)-(tert-butoxycarbonyl)-L-lysine C11H22N2O4 (Mass of molecular ion: 246)
Source Temperature: 180 °C Sample Temperature: 210 °C Direct, 75 eV
15.0 4.1 16.0 2.3 17.0 3.9 18.0 20.2 26.0 5.5 27.0 22.9 28.0 38.5 29.0 27.1 30.0 84.9 31.0 25.5 37.0 1.7 38.0 3.8 39.0 30.0 40.0 7.8 41.0 89.4 42.0 16.7 43.0 46.1 44.0 77.9 45.0 10.6 46.0 1.4 50.0 4.1 51.0 4.5 52.0 4.2 53.0 7.5 54.0 10.6 55.0 28.3 56.0 95.4 57.0 96.7 58.0 9.0 59.0 100.0 60.0 4.1 62.0 1.0 65.0 1.2 66.0 2.6 67.0 5.8 68.0 4.3 69.0 5.1 70.0 15.1 71.0 13.8 72.0 28.9 73.0 3.4 74.0 5.1 78.0 1.1 79.0 2.7 80.0 2.7 81.0 4.7 82.0 28.0 83.0 56.2 84.0 66.2 85.0 5.4 86.0 1.4 87.0 12.7 88.0 1.9 93.0 1.8 95.0 1.3 98.0 3.6 99.0 11.8 100.0 11.7 101.0 1.9 109.0 2.2 110.0 9.6 111.0 14.6 112.0 3.5 114.0 1.0 115.0 4.3 116.0 13.1 117.0 1.9 126.0 2.1 127.0 4.1 128.0 27.3 129.0 7.3 130.0 3.2 143.0 19.6 144.0 1.7 145.0 3.7 146.0 9.0 147.0 1.1 154.0 3.3 155.0 5.4 161.0 2.6 172.0 3.0 173.0 12.8 174.0 1.0 190.0 8.6 191.0 1.8
400 MHz in D2O
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1H NMR 399.65 MHz C11 H22 N2 O4 0.045 g : 0.5 ml D2O N(2)-(tert-butoxycarbonyl)-L-lysine 
Assign. Shift(ppm)
A 3.88 B 3.004 C 1.71 D 1.68 E 1.44 F 1.437
Hz ppm Int.1208.62 3.025 73 1201.05 3.006 140 1193.48 2.987 80 684.94 1.714 39 682.13 1.707 38 677.12 1.695 56 674.93 1.689 53 669.80 1.676 53 666.99 1.669 47 661.62 1.656 32 574.46 1.438 1000
in D2O
KBr disc
nujol mull
