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 | |
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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) 1H NMR Atlas of Related Products
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