Product NameN-Boc-L-Histidine
CAS17791-52-5
Molecular FormulaC11H17N3O4
Molecular Weight255.27
InChIInChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)/t8-/m0/s1
InChIKey AYMLQYFMYHISQO-QMMMGPOBSA-N
SmilesC(O)(=O)[C@H](CC1N=CNC=1)NC(OC(C)(C)C)=O
Mass
MS-IW-6141 N-tert-butoxycarbonyl-L-histidine C11H17N3O4 (Mass of molecular ion: 255)
Source Temperature: 170 °C Sample Temperature: 190 °C Direct, 75 eV
18.0 3.2 26.0 2.0 27.0 6.4 28.0 14.5 29.0 6.1 31.0 10.4 38.0 1.7 39.0 10.2 40.0 3.3 41.0 29.8 42.0 2.6 43.0 3.5 44.0 27.9 50.0 1.1 51.0 1.4 52.0 2.4 53.0 3.7 54.0 11.7 55.0 8.8 56.0 13.7 57.0 14.4 59.0 39.0 60.0 1.3 66.0 1.4 80.0 1.9 81.0 100.0 82.0 42.7 83.0 4.0 93.0 2.0 94.0 3.6 95.0 1.0 107.0 1.1 108.0 1.0 109.0 10.6 110.0 12.2 111.0 1.0 120.0 3.1 135.0 2.4 136.0 4.1 137.0 5.6 138.0 12.7 139.0 1.3 154.0 5.5 155.0 3.6 181.0 8.4 182.0 5.4 199.0 5.3 255.0 1.0
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C11 H17 N3 O4 | 0.040 g : 0.5 ml DMSO-d6 |
N-tert-butoxycarbonyl-L-histidine |
Assign. Shift(ppm) |
Hz ppm Int.
3070.83 7.684 147 2786.25 6.972 53 2778.17 6.952 55 2736.05 6.847 106 1659.39 4.153 22 1656.34 4.145 35 1651.31 4.132 34 1648.25 4.125 24 1164.40 2.914 43 1159.52 2.902 42 1148.68 2.875 40 1140.29 2.854 38 542.30 1.357 1000 525.51 1.315 85 0.00 0.001 32
in DMSO-d6
KBr disc
nujol mull
N-Boc-L-Histidine(17791-52-5) IR2 Atlas of Related Products
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