N-(2,4-DINITROPHENYL)-L-PHENYLALANINE(1655-54-5) IR1
Product NameN-(2,4-DINITROPHENYL)-L-PHENYLALANINE
CAS1655-54-5
Molecular FormulaC15H13N3O6
Molecular Weight331.28
InChIInChI=1S/C15H13N3O6/c19-15(20)13(8-10-4-2-1-3-5-10)16-12-7-6-11(17(21)22)9-14(12)18(23)24/h1-7,9,13,16H,8H2,(H,19,20)/t13-/m0/s1
InChIKey HJQHTLAEPSKXQJ-ZDUSSCGKSA-N
SmilesC(O)(=O)[C@H](CC1=CC=CC=C1)NC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C15 H13 N3 O6 0.031 g : 0.5 ml DMSO-d6 N-(2,4-dinitrophenyl)-L-phenylalanine 
Assign. Shift(ppm)
A 8.859 B 8.793 C 8.256 D 7.27 E 7.25 F 7.23 G 7.188 J 5.023 K *1 3.30 L *1 3.27
Hz ppm Int.3542.02 8.863 981 3539.28 8.856 1000 3518.22 8.804 359 3510.59 8.785 368 3305.97 8.273 322 3303.38 8.266 312 3296.36 8.249 343 3293.76 8.242 334 2917.18 7.300 155 2915.34 7.295 244 2913.67 7.291 134 2908.63 7.278 729 2906.95 7.274 460 2901.46 7.261 850 2897.49 7.251 803 2895.51 7.246 522 2893.98 7.242 368 2891.08 7.235 199 2888.18 7.227 879 2885.13 7.220 147 2882.69 7.214 124 2881.16 7.210 149 2879.79 7.206 116 2875.82 7.196 749 2874.30 7.193 834 2867.74 7.176 625 2017.67 5.049 113 2012.02 5.035 260 2004.39 5.016 262 1998.90 5.002 124 1329.35 3.327 53 1324.16 3.314 68 1322.17 3.309 45 1313.78 3.288 528 1310.12 3.279 473 1307.83 3.273 466 1299.74 3.253 82 1296.08 3.244 48 1293.64 3.237 69
in DMSO-d6
KBr disc
