BOC-L-Methionine(2488-15-5) 1H NMR
Product NameBOC-L-Methionine
CAS2488-15-5
Molecular FormulaC10H19NO4S
Molecular Weight249.33
InChIInChI=1S/C10H19NO4S/c1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey IMUSLIHRIYOHEV-ZETCQYMHSA-N
SmilesC(O)(=O)[C@H](CCSC)NC(OC(C)(C)C)=O
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MassMS-IW-6660 N-tert-butoxycarbonyl-L-methionine C10H19NO4S (Mass of molecular ion: 249)
Source Temperature: 160 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 1.3 17.0 1.9 18.0 10.6 26.0 1.0 27.0 7.5 28.0 13.0 29.0 13.1 30.0 1.6 31.0 8.9 35.0 2.7 39.0 9.9 40.0 2.1 41.0 46.0 42.0 3.5 43.0 4.4 44.0 22.3 45.0 5.6 46.0 2.9 47.0 10.3 48.0 4.8 49.0 2.7 50.0 1.2 51.0 1.1 53.0 1.9 54.0 4.6 55.0 12.2 56.0 33.5 57.0 81.6 58.0 4.1 59.0 39.7 60.0 1.9 61.0 39.0 62.0 20.6 63.0 2.6 73.0 2.3 74.0 11.3 75.0 87.7 76.0 3.8 77.0 4.3 82.0 1.6 83.0 8.3 84.0 4.4 85.0 2.0 86.0 2.9 87.0 4.4 88.0 6.9 96.0 1.4 99.0 2.7 100.0 8.4 101.0 42.0 102.0 7.4 103.0 1.1 104.0 12.8 109.0 2.0 114.0 8.7 116.0 10.6 117.0 1.5 118.0 1.5 119.0 100.0 120.0 4.1 127.0 12.0 128.0 2.3 129.0 20.7 130.0 1.9 131.0 19.2 132.0 11.2 133.0 2.1 145.0 3.6 146.0 4.5 148.0 7.2 149.0 3.7 150.0 1.3 157.0 3.0 175.0 22.2 176.0 7.3 177.0 1.6 193.0 78.5 194.0 8.2 195.0 4.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H19 N O4 S 0.039 g : 0.5 ml CDCl3 N-tert-butoxycarbonyl-L-methionine 
Assign. Shift(ppm)
A 10.0 B 6.83 C 5.24 D 4.45 E 4.33 F 2.584 G *1 2.18 J 2.114 K *1 2.00 L 1.455
Hz ppm Int.2097.63 5.249 21 2089.54 5.229 21 1040.34 2.604 63 1032.87 2.585 121 1025.70 2.567 73 871.28 2.181 22 869.45 2.176 21 868.84 2.175 21 867.77 2.172 22 866.85 2.170 22 865.94 2.167 22 865.17 2.165 22 856.02 2.142 21 844.88 2.115 928 803.22 2.010 26 796.97 1.995 28 796.36 1.993 28 789.64 1.976 22 581.82 1.456 1000
in CDCl3
KBr disc
nujol mull
