BOC-L-Tyrosine(3978-80-1) Raman
Product NameBOC-L-Tyrosine
CAS3978-80-1
Molecular FormulaC14H19NO5
Molecular Weight281.3
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1
InChIKey CNBUSIJNWNXLQQ-NSHDSACASA-N
SmilesC(O)(=O)[C@H](CC1=CC=C(O)C=C1)NC(OC(C)(C)C)=O
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MassMS-IW-6143 N-tert-butoxycarbonyl-L-tyrosine C14H19NO5 (Mass of molecular ion: 281)
Source Temperature: 160 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 2.8 27.0 1.9 28.0 3.0 29.0 3.2 31.0 1.8 39.0 5.3 40.0 1.2 41.0 17.8 43.0 1.2 44.0 18.1 51.0 1.2 53.0 1.5 55.0 4.3 56.0 10.3 57.0 16.1 59.0 9.5 74.0 1.4 77.0 3.5 91.0 1.2 107.0 100.0 108.0 9.8 119.0 1.3 136.0 3.3 164.0 17.4 165.0 1.9 180.0 2.7 207.0 1.6 208.0 2.6 220.0 3.1 225.0 8.8 226.0 1.2 281.0 1.7
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C14 H19 N O5 0.042 g : 0.5 ml DMSO-d6 N-tert-butoxycarbonyl-L-tyrosine 
Assign. Shift(ppm)
A 12.5 B 9.2 C 7.029 D 7.00 E 6.663 F 4.007 G *1 2.887 J *1 2.712 K 1.332
Hz ppm Int.2813.62 7.041 120 2805.19 7.020 129 2797.14 6.999 58 2788.89 6.979 58 2666.90 6.674 153 2658.48 6.653 139 1603.99 4.014 27 1600.69 4.006 26 1599.59 4.003 25 1595.56 3.993 21 1164.39 2.914 23 1159.81 2.903 25 1150.65 2.880 36 1146.07 2.868 34 1094.97 2.740 31 1084.90 2.715 33 1081.23 2.706 27 1070.97 2.680 24 532.46 1.333 1000 511.03 1.279 82
in DMSO-d6
KBr disc
nujol mull
