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73-22-3

L-色氨酸(73-22-3)红外图谱(IR2)

产品名称:L-色氨酸

CAS:73-22-3

分子式:C11H12N2O2

分子量: 204.23

InChI:InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1

InChIKey: QIVBCDIJIAJPQS-VIFPVBQESA-N

Smiles:C(O)(=O)[C@H](CC1C2=C(C=CC=C2)NC=1)N

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    Mass

    MS2003-02093WA      
    L-tryptophan
    C11H12N2O2          (Mass of molecular ion:    204)
    

       Source Temperature: 250 °C
       Sample Temperature:  80 °C
       Direct, 70 eV
    

          28.0       1.4
          51.0       1.0
          77.0       5.4
          79.0       1.1
          79.5       1.2
         102.0       2.6
         103.0       5.2
         115.0       1.2
         117.0       2.2
         128.0       1.7
         129.0       3.1
         130.0     100.0
         131.0      10.5
         132.0       1.8
         158.0       2.0
         159.0       2.1
         204.0       5.6
    

90 MHz in DMSO-d6

400 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C11 H12 N2 O2 0.049 g : 0.5 ml DMSO-d6
    L-tryptophan
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 10.96 B 7.57 C 7.36 D 7.26 E 7.01 F 6.97 G *1 6.71 J 3.55 K *2 3.28 L *2 3.06 400MHZ : HSP-42-518

         Hz     ppm     Int.
    

        981.64  10.961    356
        683.00   7.627    350
        682.31   7.619    328
        681.97   7.615    329
        680.09   7.594    294
        676.59   7.555    472
        674.45   7.531    447
        663.94   7.414    328
        663.34   7.407    340
        661.55   7.387    442
        657.62   7.343    428
        655.57   7.320    634
        654.80   7.312    686
        654.11   7.304    625
        650.78   7.267    864
        637.79   7.122    313
        632.58   7.064    665
        630.79   7.044    593
        629.08   7.025    703
        626.17   6.992   1000
        623.18   6.959    579
        621.73   6.943    619
        620.02   6.923    586
        618.65   6.908    278
        614.81   6.865    362
        613.18   6.847    345
        601.31   6.715    570
        318.64   3.558    330
        314.28   3.510    365
        294.97   3.294    389
        290.78   3.247    315
        282.32   3.153    385
    

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    1H NMR 399.65 MHz
    C11 H12 N2 O2 saturated in DMSO-d6
    L-tryptophan
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 11.11 B *1 8. C 7.580 D 7.361 E 7.263 F 7.054 G 6.965 J *1 3.6 K 3.533 L *2 3.326 M *2 3.036 J(L,M)=-15.1HZ J(M,K)=4.2HZ J(L,K)=8.6HZ 90MHZ : HSP-05-898

         Hz     ppm     Int.
    

       4440.76  11.112    687
       3033.60   7.591    735
       3025.82   7.572    791
       2946.17   7.372    874
       2938.08   7.352   1000
       2903.90   7.267    979
       2901.76   7.261    967
       2827.61   7.076    376
       2826.69   7.073    380
       2819.67   7.056    750
       2812.50   7.038    498
       2811.58   7.036    470
       2790.53   6.983    530
       2789.92   6.981    524
       2782.75   6.963    803
       2775.73   6.946    378
       2774.96   6.944    352
       1418.61   3.550    357
       1414.49   3.540    423
       1410.22   3.529    440
       1405.79   3.518    427
       1339.72   3.353    301
       1335.75   3.343    303
       1324.77   3.315    390
       1320.50   3.305    333
       1224.52   3.064    341
       1215.97   3.043    344
       1209.41   3.027    306
       1200.87   3.005    265
    

in D2O

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KBr disc

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nujol mull

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