Product NameN-Carbobenzyloxy-L-alanine
CAS1142-20-7
Molecular FormulaC11H13NO4
Molecular Weight223.23
InChIInChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKey TYRGLVWXHJRKMT-QMMMGPOBSA-N
SmilesC(O)(=O)[C@H](C)NC(OCC1=CC=CC=C1)=O

Mass
MS-NW-2478 N-benzyloxycarbonyl-L-alanine C11H13NO4 (Mass of molecular ion: 223)
Source Temperature: 210 °C Sample Temperature: 150 °C Direct, 75 eV
15.0 4.4
18.0 2.2
26.0 2.8
27.0 6.7
28.0 32.6
29.0 3.0
31.0 1.7
38.0 2.1
39.0 7.9
40.0 2.5
41.0 3.8
42.0 11.2
43.0 36.5
44.0 7.2
45.0 1.6
50.0 5.0
51.0 12.5
52.0 3.6
53.0 2.8
55.0 1.0
62.0 1.3
63.0 3.7
64.0 1.1
65.0 10.2
70.0 4.8
71.0 2.5
74.0 2.0
77.0 27.0
78.0 6.7
79.0 66.3
80.0 7.0
88.0 5.0
89.0 6.0
90.0 7.9
91.0 79.2
92.0 7.5
105.0 2.7
106.0 1.1
107.0 49.9
108.0 100.0
109.0 7.8
115.0 1.8
134.0 3.1
223.0 1.9
90 MHz in CDCl3

| 1H NMR | 89.56 MHz |
| C11 H13 N O4 | 0.047 g : 0.5 ml CDCl3 |
| N-benzyloxycarbonyl-L-alanine | |
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Assign. Shift(ppm) |
Hz ppm Int.
974.98 10.887 140
662.15 7.394 25
655.99 7.325 1000
650.70 7.266 25
649.93 7.257 23
458.26 5.117 279
394.26 4.403 23
393.41 4.393 25
392.90 4.388 26
392.55 4.384 25
392.21 4.380 24
132.28 1.477 282
129.03 1.441 34
128.26 1.433 33
125.01 1.396 268
in CDCl3

KBr disc

nujol mull

4880 A,200 M,powder

N-Carbobenzyloxy-L-alanine(1142-20-7) Raman Atlas of Related Products
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