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) IR2 Atlas of Related Products
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