7524-52-9

L-色氨酸甲酯盐酸盐(7524-52-9)核磁图(¹³CNMR)

产品名称:L-色氨酸甲酯盐酸盐

CAS:7524-52-9

分子式:C12H15ClN2O2

分子量: 254.71

InChI:InChI=1/C12H14N2O2.ClH/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11;/h2-5,7,10,14H,6,13H2,1H3;1H/t10-;/s3

InChIKey: XNFNGGQRDXFYMM-MEQOOBBNNA-N

Smiles:C12C=CC=CC=1NC=C2C[C@H](N)C(=O)OC.Cl |&1:10,r|

Mass

MS-IW-9104          
L-tryptophan methyl ester hydrochloride
C12H14N2O2 HCl      (Mass of molecular ion:    218)

   Source Temperature: 170 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      28.0       2.4
      35.0       1.0
      36.0       9.4
      38.0       3.1
      51.0       1.2
      77.0       5.3
      79.0       1.9
      79.5       3.2
      88.0       1.1
      89.0       1.2
     102.0       1.9
     103.0       4.8
     117.0       2.3
     128.0       1.4
     129.0       2.4
     130.0     100.0
     131.0      11.4
     132.0       2.3
     158.0       1.4
     159.0       4.2
     218.0       6.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₄ N₂ O₂	0.042 g : 0.5 ml DMSO-d₆
L-tryptophan methyl ester hydrochloride

    Assign.     Shift(ppm)

      A            11.2
      B             8.81
      C             7.538
      D             7.393
      E             7.283
      F             7.090
      G             7.010
      J             4.188
      K             3.625
      L     *1      3.392
      M     *1      3.327

     Hz     ppm     Int.

   4493.07  11.243     99
   3522.84   8.815    174
   3016.94   7.549    103
   3009.06   7.530    112
   2959.05   7.405    124
   2951.00   7.384    144
   2911.98   7.287    155
   2909.60   7.281    157
   2842.19   7.112     51
   2841.10   7.109     57
   2835.05   7.094     88
   2834.14   7.092    112
   2827.17   7.075     72
   2826.08   7.072     71
   2808.68   7.028     78
   2807.76   7.026     84
   2800.80   7.009    119
   2799.88   7.006     98
   2793.84   6.991     55
   2792.74   6.988     54
   1680.55   4.206     55
   1673.78   4.189     91
   1668.28   4.175     58
   1448.85   3.626   1000
   1368.44   3.425     32
   1363.13   3.411     34
   1353.78   3.388     76
   1348.47   3.375     69
   1337.85   3.348     73
   1330.89   3.331     72
   1323.01   3.311     34
   1316.05   3.294     30

in DMSO-d6