90-39-1

(-)-鹰爪豆碱(90-39-1)红外图谱(IR1)

产品名称:(-)-鹰爪豆碱

CAS:90-39-1

分子式:C15H26N2

分子量: 234.38

InChI:InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1

InChIKey: SLRCCWJSBJZJBV-ZQDZILKHSA-N

Smiles:N12CCCC[C@@]1([H])[C@@]1([H])C[C@@]([H])(C2)[C@@]2([H])CCCCN2C1

¹HNMR

IR1

Mass

MS2001-00883WA      
sparteine
C15H26N2            (Mass of molecular ion:    234)

   Source Temperature: 230 °C
   Sample Temperature: 300 °C
   Reservoir, 70 eV

      27.0       1.4
      28.0       1.8
      29.0       1.8
      30.0       1.6
      39.0       2.6
      41.0      12.6
      42.0       6.3
      43.0       1.5
      44.0       2.3
      53.0       2.9
      54.0       4.4
      55.0      10.8
      56.0       4.2
      65.0       1.5
      66.0       1.1
      67.0       6.6
      68.0       6.0
      69.0       4.5
      70.0       5.0
      77.0       1.9
      79.0       3.0
      80.0       4.5
      81.0       3.0
      82.0       5.6
      83.0       7.6
      84.0      15.2
      85.0       1.0
      89.0       1.3
      91.0       1.7
      92.0       1.0
      93.0       2.9
      94.0       4.8
      95.0       4.4
      96.0      10.1
      97.0      33.5
      98.0      85.0
      99.0       5.9
     106.0       2.8
     107.0       2.0
     108.0       5.2
     109.0       6.3
     110.0      21.0
     111.0       4.7
     117.0       2.4
     120.0       3.4
     121.0       2.2
     122.0      12.8
     123.0       7.1
     124.0      10.2
     125.0       1.6
     132.0       1.2
     134.0      16.1
     135.0       8.2
     136.0      39.8
     137.0     100.0
     138.0      13.5
     139.0       1.3
     148.0       7.7
     149.0       5.9
     150.0      17.3
     151.0       8.2
     152.0       5.5
     160.0       1.1
     162.0       3.9
     163.0       2.9
     164.0       3.3
     165.0       3.7
     166.0       1.2
     174.0       1.0
     175.0       1.1
     176.0       5.5
     177.0       5.4
     178.0       3.1
     190.0       3.6
     191.0      12.5
     192.0       5.3
     193.0      43.1
     194.0       5.9
     204.0       2.5
     205.0       7.4
     206.0       2.6
     218.0       1.2
     219.0       2.5
     231.0       1.3
     232.0       3.6
     233.0      15.5
     234.0      44.5
     235.0       7.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₂₆ N₂	0.05 ml : 0.5 ml CDCl₃
sparteine

    Assign.     Shift(ppm)

      A             2.778
      B             2.69
      C             2.68
      D             2.523
      E             2.342
      F             2.05
      G             2.02
      J             2.0
      K             1.95
      L             1.93
      M             1.839
      N             1.71
      P             1.55
      Q             1.49
      R             1.46
      S             1.38
      T             1.34
      U             1.23
      V             1.048
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   1116.09   2.793    272
   1108.28   2.774    163
   1104.98   2.765    294
   1104.13   2.763    289
   1086.55   2.719    361
   1075.56   2.692   1000
   1064.58   2.664    712
   1016.60   2.544    218
   1014.28   2.538    321
   1011.96   2.533    230
   1005.62   2.517    253
   1003.42   2.511    360
   1000.98   2.505    252
    943.24   2.361    402
    939.70   2.352    418
    932.13   2.333    354
    928.59   2.324    365
    828.74   2.074    256
    826.90   2.070    258
    824.83   2.064    172
    822.75   2.059    167
    820.92   2.055    164
    818.97   2.050    172
    816.89   2.045    296
    814.70   2.039    378
    810.79   2.029    229
    805.30   2.016    615
    802.73   2.009    780
    798.71   1.999    322
    794.43   1.988    597
    791.87   1.982    603
    787.11   1.970    548
    783.69   1.961    409
    781.74   1.957    390
    775.88   1.942    593
    771.85   1.932    577
    764.77   1.914    191
    760.62   1.904    278
    742.43   1.858    190
    740.60   1.854    234
    738.77   1.849    238
    736.82   1.844    201
    734.38   1.838    181
    731.81   1.832    200
    729.86   1.827    226
    727.91   1.822    220
    726.07   1.817    170
    693.36   1.735    362
    682.01   1.707    757
    676.27   1.693    326
    671.88   1.682    445
    638.67   1.599    260
    635.38   1.590    366
    630.25   1.578    551
    628.78   1.574    449
    626.46   1.568    631
    622.92   1.559    403
    620.12   1.552    408
    616.94   1.544    484
    615.72   1.541    471
    612.55   1.533    521
    610.35   1.528    625
    606.93   1.519    766
    603.15   1.510    403
    597.53   1.496    463
    595.58   1.491    477
    591.80   1.481    195
    589.11   1.475    216
    586.30   1.468    399
    582.76   1.459    489
    580.44   1.453    373
    561.16   1.405    276
    557.25   1.395    244
    549.80   1.376    351
    546.02   1.367    280
    543.82   1.361    158
    537.11   1.344    383
    534.42   1.338    260
    532.59   1.333    200
    526.00   1.317    512
    521.00   1.304    254
    517.70   1.296    378
    513.92   1.286    309
    504.39   1.263    195
    502.69   1.258    249
    500.12   1.252    365
    498.66   1.248    414
    495.97   1.242    352
    492.19   1.232    184
    487.92   1.221    434
    484.74   1.213    413
    478.52   1.198    174
    473.02   1.184    194
    427.37   1.070    261
    424.80   1.063    466
    422.36   1.057    264
    415.41   1.040    259
    412.96   1.034    448
    410.52   1.028    249

Liquid film