Product NameN-BOC-O-Benzyl-L-serine
CAS23680-31-1
Molecular FormulaC15H21NO5
Molecular Weight295.33
InChIInChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKey DMBKPDOAQVGTST-LBPRGKRZSA-N
SmilesC(O)(=O)[C@H](COCC1=CC=CC=C1)NC(OC(C)(C)C)=O
Mass
MS-IW-6139 o-benzyl-N-tert-butoxycarbonyl-L-serine C15H21NO5 (Mass of molecular ion: 295)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 1.8 27.0 1.3 28.0 1.8 29.0 3.3 31.0 2.3 39.0 3.8 41.0 10.6 42.0 1.7 43.0 8.0 44.0 4.1 51.0 1.7 55.0 1.7 56.0 3.5 57.0 50.2 58.0 2.5 59.0 10.3 63.0 1.0 65.0 6.1 74.0 8.7 77.0 2.6 79.0 2.9 87.0 3.5 88.0 5.5 89.0 6.6 90.0 1.6 91.0 100.0 92.0 13.5 105.0 1.9 107.0 7.8 108.0 2.7 120.0 1.8 121.0 3.1 132.0 7.4 133.0 7.3 143.0 1.1 148.0 20.5 149.0 2.2 150.0 2.3 194.0 5.3 209.0 2.7 221.0 1.2 222.0 1.3 238.0 2.6 239.0 5.7 263.0 2.0
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C15 H21 N O5 | 0.040 g : 0.5 ml CDCl3 |
O-benzyl-N-tert-butoxycarbonyl-L-serine |
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Assign. Shift(ppm) |
Hz ppm Int.
2935.64 7.346 53 2933.96 7.342 38 2928.47 7.328 135 2924.65 7.319 69 2921.60 7.311 242 2914.28 7.293 229 2906.34 7.273 114 2179.72 5.455 37 2171.17 5.433 37 1811.68 4.534 420 1796.57 4.496 37 1792.91 4.487 32 1788.18 4.475 33 1571.04 3.932 30 1564.48 3.915 36 1561.58 3.908 35 1488.34 3.725 42 1484.99 3.716 46 1478.88 3.701 40 1475.68 3.693 37 578.46 1.448 1000
in CDCl3
KBr disc
nujol mull
N-BOC-O-Benzyl-L-serine(23680-31-1) MS Atlas of Related Products
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