FMOC-Ala-OH(35661-39-3) 13C NMR
Product NameFMOC-Ala-OH
CAS35661-39-3
Molecular FormulaC18H17NO4
Molecular Weight311.33
InChIInChI=1S/C18H17NO4/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChIKey QWXZOFZKSQXPDC-NSHDSACASA-N
SmilesC(O)(=O)[C@H](C)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
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MassMS-IW-3610 N-(9-fluorenylmethoxycarbonyl)-L-alanine C18H17NO4 (Mass of molecular ion: 311)
Source Temperature: 160 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 1.0 18.0 5.0 27.0 1.3 28.0 8.4 39.0 1.1 42.0 2.8 43.0 9.3 44.0 2.1 63.0 2.5 69.5 1.5 70.0 2.3 74.0 1.1 75.0 1.4 76.0 2.2 81.5 1.4 82.0 1.2 82.5 2.2 87.0 1.6 88.0 2.9 89.0 2.9 113.0 1.0 115.0 4.3 139.0 5.0 150.0 1.0 151.0 1.6 152.0 2.5 162.0 1.4 163.0 11.7 164.0 10.0 165.0 100.0 166.0 78.4 167.0 11.1 176.0 3.8 177.0 3.0 178.0 42.4 179.0 8.4 196.0 34.2 197.0 5.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C18 H17 N O4 0.041 g : 0.5 ml DMSO-d6 N-(9-fluorenylmethoxycarbonyl)-L-alanine 
Assign. Shift(ppm)
A 12.6 B 7.900 C *1 7.748 D *1 7.737 E 7.70 F 7.43 G 7.35 J 4.303 K 4.237 L 4.033 M 1.301 ASSIGNED BY C-H COSY.
Hz ppm Int.3161.45 7.911 666 3153.94 7.892 732 3100.46 7.758 267 3096.06 7.747 302 3093.32 7.741 336 3088.92 7.730 320 3081.96 7.712 285 3074.45 7.693 286 3068.04 7.677 30 2976.46 7.448 307 2973.16 7.440 48 2969.50 7.431 699 2961.99 7.412 448 2943.30 7.365 444 2942.39 7.363 354 2935.98 7.347 684 2934.88 7.344 529 2928.47 7.328 303 2927.55 7.326 224 1725.25 4.317 276 1723.60 4.313 296 1717.55 4.298 694 1709.13 4.277 44 1707.11 4.272 58 1704.73 4.266 34 1704.36 4.265 33 1699.60 4.253 213 1692.82 4.236 224 1685.86 4.219 112 1626.70 4.071 48 1619.38 4.052 170 1612.05 4.034 258 1608.20 4.025 40 1604.54 4.015 172 1597.21 3.997 42 524.04 1.312 952 516.53 1.293 1000
in DMSO-d6
KBr disc
nujol mull
