N-FORMYL-DL-TRYPTOPHAN(16108-03-5) IR1

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

Request For Quotation

¹HNMR

IR1

IR2

Mass

MS-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

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