Product NameBoc-Thr(Bzl)-OH
CAS15260-10-3
Molecular FormulaC16H23NO5
Molecular Weight309.36
InChIInChI=1S/C16H23NO5/c1-11(21-10-12-8-6-5-7-9-12)13(14(18)19)17-15(20)22-16(2,3)4/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19)/t11-,13+/m1/s1
InChIKey CTXPLTPDOISPTE-YPMHNXCESA-N
SmilesC(O)(=O)[C@H]([C@H](OCC1=CC=CC=C1)C)NC(OC(C)(C)C)=O
Mass
MS-IW-5816 o-benzyl-N-tert-butoxycarbonyl-L-threonine C16H23NO5 (Mass of molecular ion: 309)
Source Temperature: 170 °C Sample Temperature: 150 °C Direct, 75 eV
17.0 1.3 18.0 7.0 27.0 1.4 28.0 3.2 29.0 2.8 31.0 1.9 39.0 4.2 41.0 11.8 43.0 1.9 44.0 7.7 51.0 1.4 55.0 2.5 56.0 6.7 57.0 44.1 58.0 2.1 59.0 7.5 65.0 5.7 74.0 10.9 77.0 1.8 79.0 2.1 89.0 1.4 90.0 1.2 91.0 100.0 92.0 13.4 101.0 4.3 102.0 1.4 103.0 2.5 107.0 4.7 108.0 1.5 120.0 1.8 135.0 10.1 136.0 1.0 146.0 1.5 147.0 2.9 148.0 19.2 149.0 2.1 164.0 2.0 174.0 1.0 209.0 5.6 236.0 1.0
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C16 H23 N O5 | 0.042 g : 0.5 ml CDCl3 |
O-benzyl-N-tert-butoxycarbonyl-L-threonine |
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Assign. Shift(ppm) |
Hz ppm Int.
2914.58 7.293 82 2909.09 7.280 140 2900.70 7.259 170 2895.36 7.245 66 2893.68 7.241 67 2139.28 5.353 33 2129.82 5.330 35 1829.99 4.579 73 1818.24 4.550 104 1770.78 4.431 70 1759.19 4.402 50 1753.85 4.389 32 1751.71 4.384 32 1744.54 4.366 32 1742.25 4.360 31 581.67 1.456 1000 505.83 1.266 189 499.42 1.250 182
in CDCl3
KBr disc
nujol mull
Boc-Thr(Bzl)-OH(15260-10-3) IR1 Atlas of Related Products
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