N-FORMYL-DL-PHENYLALANINE(4289-95-6) 13C NMR
Product NameN-FORMYL-DL-PHENYLALANINE
CAS4289-95-6
Molecular FormulaC10H11NO3
Molecular Weight193.2
InChIInChI=1S/C10H11NO3/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14)/t9-/m0/s1
InChIKey NSTPXGARCQOSAU-VIFPVBQESA-N
SmilesC(O)(=O)[C@H](CC1=CC=CC=C1)NC=O
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MassMS-NW-2496 N-formyl-DL-phenylalanine C10H11NO3 (Mass of molecular ion: 193)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 1.2 18.0 6.3 27.0 1.1 28.0 8.3 29.0 1.7 39.0 4.3 41.0 1.3 42.0 1.0 46.0 1.4 50.0 1.4 51.0 3.8 52.0 1.0 63.0 2.3 65.0 9.4 74.0 1.6 77.0 4.2 78.0 1.6 89.0 1.8 90.0 1.4 91.0 100.0 92.0 10.0 102.0 1.6 103.0 4.0 104.0 1.8 117.0 1.6 118.0 2.8 119.0 1.8 120.0 4.4 130.0 1.3 131.0 1.5 147.0 14.4 148.0 40.7 149.0 4.1 175.0 4.9 193.0 1.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H11 N O3 0.039 g : 0.5 ml DMSO-d6 N-formyl-DL-phenylalanine 
Assign. Shift(ppm)
A 12.9 B 8.39 C 7.981 D 7.28 E 7.23 F 7.22 G 4.538 J *1 3.093 K *1 2.883 J(B,G)=8.1HZ J(G,J)=4.9HZ J(G,K)=9.2HZ J(J,K)=-13.9HZ
Hz ppm Int.5148.07 12.882 41 3358.05 8.403 189 3349.93 8.383 191 3190.30 7.983 564 3189.66 7.982 570 2923.84 7.317 41 2921.06 7.310 160 2919.99 7.307 243 2918.50 7.303 129 2917.43 7.300 124 2916.57 7.298 119 2912.73 7.289 555 2911.66 7.286 471 2908.03 7.277 218 2905.68 7.271 668 2900.98 7.259 88 2899.27 7.255 111 2892.21 7.237 1000 2885.16 7.220 609 2883.67 7.216 507 2880.25 7.207 108 2877.47 7.200 91 2875.97 7.197 131 2874.48 7.193 74 1825.72 4.569 90 1820.59 4.556 111 1816.96 4.547 189 1812.04 4.535 191 1808.62 4.526 115 1807.98 4.524 116 1803.28 4.513 99 1246.63 3.120 161 1241.72 3.108 165 1232.74 3.085 221 1227.83 3.073 214 1162.87 2.910 238 1153.68 2.887 237 1148.98 2.875 185 1139.79 2.852 175
in DMSO-d6
KBr disc
4880 A,200 M,powder
