N-FORMYL-DL-TRYPTOPHAN(16108-03-5) IR2
Product NameN-FORMYL-DL-TRYPTOPHAN
CAS16108-03-5
Molecular FormulaC12H12N2O3
Molecular Weight232.24
InChIInChI=1S/C12H12N2O3/c15-7-14-11(12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2,(H,14,15)(H,16,17)/t11-/m0/s1
InChIKey RNEMLJPSSOJRHX-NSHDSACASA-N
SmilesC(O)(=O)[C@H](CC1C2=C(C=CC=C2)NC=1)NC=O
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MassMS-NW-2372 N(alpha)-formyl-DL-tryptophan C12H12N2O3 (Mass of molecular ion: 232)
Source Temperature: 250 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 2.4 18.0 12.3 27.0 1.9 28.0 4.7 29.0 1.0 39.0 1.9 41.0 1.4 43.0 1.5 44.0 6.1 50.0 1.6 51.0 2.6 52.0 1.2 62.0 1.2 63.0 2.4 70.5 1.2 74.0 1.2 75.0 1.9 76.0 1.8 77.0 6.7 78.0 1.0 79.0 1.0 84.0 1.1 89.0 1.9 90.0 1.7 101.0 1.3 102.0 4.8 103.0 5.8 113.0 1.2 114.0 2.3 115.0 3.2 116.0 1.3 117.0 4.6 128.0 3.0 129.0 8.6 130.0 100.0 131.0 11.1 132.0 1.0 140.0 3.8 141.0 2.7 142.0 2.0 143.0 5.0 144.0 1.0 155.0 1.6 157.0 1.3 158.0 1.3 167.0 1.8 168.0 21.2 169.0 4.4 170.0 1.8 186.0 1.8 187.0 6.3 214.0 4.7 232.0 5.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H12 N2 O3 0.038 g : 0.5 ml DMSO-d6 N(alpha)-formyl-DL-tryptophan 
Assign. Shift(ppm)
A *1 13. B *1 10.88 C 8.37 D 8.01 E 7.539 F 7.346 G 7.156 J 7.074 K 6.995 L 4.588 M *2 3.202 N *2 3.061 J(C,L)=8.4HZ
Hz ppm Int.4349.32 10.883 501 3350.99 8.385 364 3349.71 8.382 368 3342.87 8.365 365 3341.81 8.362 365 3202.70 8.014 984 3202.06 8.013 1000 3017.43 7.551 582 3009.53 7.531 616 2940.51 7.358 710 2932.39 7.338 822 2861.23 7.160 907 2858.88 7.154 836 2835.59 7.096 313 2834.52 7.093 328 2828.54 7.078 532 2827.47 7.075 643 2820.42 7.058 413 2819.35 7.055 391 2802.47 7.013 479 2801.61 7.011 497 2794.56 6.993 718 2793.71 6.991 558 2787.72 6.976 325 2786.65 6.973 307 1844.31 4.615 155 1838.97 4.602 210 1836.19 4.595 337 1831.06 4.582 338 1828.49 4.576 210 1823.15 4.562 157 1298.56 3.250 35 1291.72 3.233 252 1286.81 3.220 257 1282.53 3.210 50 1277.19 3.196 393 1272.06 3.183 465 1233.38 3.087 388 1225.26 3.066 388 1218.85 3.050 265 1210.52 3.029 250
KBr disc
nujol mull
