Boc-L-Tyrosine methyl ester(4326-36-7) MS
Product NameBoc-L-Tyrosine methyl ester
CAS4326-36-7
Molecular FormulaC15H21NO5
Molecular Weight295.33
InChIInChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(18)20-4)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,16,19)/t12-/m0/s1
InChIKey NQIFXJSLCUJHBB-LBPRGKRZSA-N
SmilesC(OC)(=O)[C@H](CC1=CC=C(O)C=C1)NC(OC(C)(C)C)=O
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MassMS-KW-0518 N-(tert-butoxycarbonyl)-L-tyrosine methyl ester C15H21NO5 (Mass of molecular ion: 295)
Source Temperature: 200 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 1.2 27.0 2.1 28.0 3.5 29.0 3.6 31.0 1.8 33.0 1.8 39.0 5.0 40.0 1.0 41.0 12.7 42.0 1.2 43.0 1.3 44.0 7.7 51.0 1.6 53.0 1.8 55.0 3.0 56.0 5.8 57.0 24.9 58.0 1.2 59.0 8.1 65.0 1.1 68.0 1.2 74.0 1.1 77.0 5.0 78.0 1.3 79.0 1.2 88.0 12.4 89.0 2.8 91.0 3.2 101.0 1.2 107.0 100.0 108.0 19.0 109.0 1.5 119.0 1.4 133.0 2.0 134.0 1.0 135.0 1.6 136.0 8.0 137.0 1.3 144.0 1.0 147.0 2.8 162.0 2.1 178.0 38.5 179.0 5.0 180.0 2.2 194.0 1.3 195.0 3.0 221.0 1.7 222.0 3.4 239.0 2.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C15H21NO5 0.040 g : 0.5 ml CDCl3 N-(tert-butoxycarbonyl)-L-tyrosine methyl ester 
Assign. Shift(ppm)
A 6.949 B 6.735 C 5.08 C 4.89 D 4.536 D 4.35 E 3.702 F 3.99 G 1.420
Hz ppm Int.2782.35 6.960 134 2773.93 6.939 156 2695.68 6.743 107 2687.75 6.724 83 2034.43 5.089 29 2026.37 5.069 30 1956.91 4.895 7 1817.02 4.546 27 1808.84 4.525 25 1740.36 4.354 6 1479.99 3.702 292 1218.14 3.048 17 1212.16 3.033 20 1204.11 3.012 43 1198.37 2.998 46 1191.90 2.982 33 1185.67 2.966 30 1172.00 2.932 13 630.01 1.576 8 567.63 1.420 1000 503.42 1.260 9
in CDCl3
KBr disk
Nujol
