DL-DOPA(63-84-3) 1H NMR
Molecular FormulaC9H11NO4
Molecular Weight197.19
InChIInChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
InChIKey WTDRDQBEARUVNC-LURJTMIESA-N
SmilesC(O)(=O)[C@H](CC1=CC=C(O)C(O)=C1)N
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MassMS-NW-0427 3-(3,4-dihydroxyphenyl)-DL-alanine C9H11NO4 (Mass of molecular ion: 197)
Source Temperature: 220 °C Sample Temperature: 200 °C Direct, 75 eV
27.0 1.0 28.0 4.2 30.0 1.2 39.0 2.0 43.0 1.1 44.0 1.1 46.0 1.0 51.0 5.3 52.0 1.2 53.0 3.4 55.0 1.4 57.0 1.5 63.0 1.0 65.0 1.1 67.0 1.2 74.0 5.4 75.0 2.8 76.0 2.1 77.0 9.0 78.0 2.0 79.0 1.0 105.0 2.2 106.0 1.2 107.0 2.2 123.0 100.0 124.0 13.1 125.0 1.3 151.0 1.5 152.0 3.1 197.0 6.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H11 N O4 saturated in DMSO-d6 3-(3,4-dihydroxyphenyl)-DL-alanine 
Assign. Shift(ppm)
B 6.666 C 6.622 D 6.488 F 3.31 G *1 2.96 J *1 2.68 J(G,F)=4.2Hz J(G,J)=-14.2Hz J(J,F)=8.3Hz The sample contains H2O.
Hz ppm Int.2665.26 6.669 701 2663.42 6.665 745 2660.68 6.658 105 2651.33 6.635 743 2643.28 6.614 1000 2597.67 6.500 442 2595.65 6.495 419 2589.61 6.480 339 2587.78 6.476 328 1355.25 3.392 855 1328.87 3.326 777 1328.51 3.325 783 1328.14 3.324 775 1324.29 3.314 766 1320.26 3.304 726 1192.23 2.984 229 1191.86 2.983 225 1190.03 2.978 141 1188.38 2.974 232 1187.83 2.973 234 1186.19 2.969 122 1177.94 2.948 288 1175.75 2.942 175 1175.01 2.941 192 1173.91 2.938 255 1173.55 2.937 255 1082.88 2.710 255 1074.64 2.689 255 1073.17 2.686 156 1072.81 2.685 145 1072.26 2.683 139 1068.78 2.675 328 1066.94 2.670 181 1060.53 2.654 208 1059.98 2.653 187 1059.07 2.650 118
KBr disc
nujol mull
