FMOC-L-Valine(68858-20-8) 1H NMR
Product NameFMOC-L-Valine
CAS68858-20-8
Molecular FormulaC20H21NO4
Molecular Weight339.39
InChIInChI=1S/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKey UGNIYGNGCNXHTR-SFHVURJKSA-N
SmilesC(O)(=O)[C@H](C(C)C)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
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MassMS-IW-2652 N-((9-fluorenyl)methoxycarbonyl)-L-valine C20H21NO4 (Mass of molecular ion: 339)
Source Temperature: 170 °C Sample Temperature: 150 °C Direct, 75 eV
17.0 1.4 18.0 6.2 27.0 4.8 28.0 7.2 29.0 2.3 39.0 4.0 41.0 10.2 42.0 1.6 43.0 14.4 44.0 2.2 51.0 1.2 55.0 2.5 56.0 4.3 57.0 1.5 62.0 1.0 63.0 2.8 69.5 1.5 72.0 2.5 73.0 6.0 74.0 2.3 75.0 2.0 76.0 2.9 81.5 1.3 82.0 1.5 82.5 2.1 83.0 5.2 87.0 1.7 88.0 2.5 89.0 3.1 98.0 1.4 101.0 44.6 102.0 1.9 113.0 1.0 115.0 3.3 139.0 5.1 150.0 1.3 151.0 2.4 152.0 3.3 162.0 1.3 163.0 11.1 164.0 10.3 165.0 100.0 166.0 78.9 167.0 11.0 176.0 5.1 177.0 3.9 178.0 55.5 179.0 11.1 180.0 1.4 196.0 32.6 197.0 5.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C20 H21 N O4 0.050 g : 0.5 ml DMSO-d6 N-((9-fluorenyl)methoxycarbonyl)-L-valine 
Assign. Shift(ppm)
A 7.899 B 7.78 C 7.64 D 7.428 E *1 7.35 F *1 7.34 G 4.29 J 4.25 K 3.928 L 2.107 M 0.937 ASSIGNED BY H-H COSY. J(C,K)=8.4HZ J(K,L)=6.0HZ
Hz ppm Int.3160.89 7.910 364 3157.35 7.901 70 3153.44 7.891 402 3112.67 7.789 185 3111.21 7.785 190 3103.76 7.767 211 3055.54 7.646 155 3047.00 7.625 155 2976.93 7.449 167 2974.24 7.443 46 2969.48 7.431 377 2962.04 7.412 237 2943.97 7.367 138 2942.87 7.364 163 2941.41 7.360 138 2940.31 7.358 141 2938.23 7.353 89 2936.52 7.348 225 2935.42 7.345 251 2933.96 7.342 212 2932.98 7.339 206 2929.08 7.330 115 2927.98 7.327 117 2926.51 7.323 97 2925.54 7.321 91 1721.68 4.308 108 1716.43 4.295 157 1713.87 4.289 214 1710.57 4.281 273 1703.00 4.262 196 1696.53 4.246 107 1690.06 4.229 47 1689.45 4.228 48 1577.27 3.947 104 1571.29 3.932 121 1568.60 3.925 122 1562.62 3.910 112 852.78 2.134 47 846.07 2.118 78 839.48 2.101 82 836.55 2.094 31 832.76 2.084 53 378.05 0.946 1000 371.22 0.929 982 361.69 0.906 60 357.79 0.896 47 357.42 0.895 45 354.61 0.888 36 353.03 0.884 32 351.93 0.881 30
in DMSO-d6
KBr disc
nujol mull
