79261-58-8

3,4-二氢一异喹啉-2,3-二甲酸-2-苄酯(79261-58-8)核磁图(¹³CNMR)

分子式:C18H17NO4

分子量: 311.33

InChI:InChI=1S/C18H17NO4/c20-17(21)16-10-14-8-4-5-9-15(14)11-19(16)18(22)23-12-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,20,21)/t16-/m0/s1

InChIKey: YWVQGUBCAUFBCP-INIZCTEOSA-N

Smiles:C1C2=C(C=CC=C2)C[C@@H](C(O)=O)N1C(OCC1=CC=CC=C1)=O

¹HNMR

¹³CNMR

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₈H₁₇NO₄	0.039 g : 0.5 ml DMSO-d₆
(S)-3,4-dihydro-2,3(1H)-isoquinolinedicarboxylic acid 2-benzyl ester

    Assign.     Shift(ppm)

     A *1        7.43
     B *1        7.36
     C           7.32
     D           7.19
     E           5.19
     F *2        5.143
     G *2        4.940
     J           4.880
     K *3        4.665
     L *3        4.532
     M *4        3.175
     N *4        3.139
     
     assigned by C-H COSY

     Hz     ppm     Int.

   2978.28   7.450     22
   2973.27   7.438    165
   2966.31   7.420    386
   2960.94   7.407    238
   2953.86   7.389    364
   2946.05   7.370    280
   2943.49   7.363    618
   2939.09   7.352   1000
   2930.55   7.331    194
   2927.86   7.324    139
   2924.08   7.315    162
   2919.44   7.303     95
   2915.53   7.293     46
   2885.38   7.218    192
   2877.57   7.198    490
   2875.00   7.192    601
   2872.20   7.185    940
   2076.42   5.194    717
   2060.31   5.154    290
   2051.27   5.131    285
   2038.34   5.099     80
   1979.38   4.952    108
   1976.20   4.944    125
   1973.64   4.937    145
   1970.22   4.929    106
   1955.21   4.891     93
   1951.05   4.881    146
   1945.56   4.867     90
   1891.12   4.731    119
   1874.88   4.690    198
   1856.82   4.645    102
   1840.58   4.604    182
   1831.18   4.581    198
   1814.70   4.540    122
   1802.50   4.509    186
   1786.26   4.469    102
   1285.04   3.215     33
   1281.62   3.206     50
   1268.68   3.174    190
   1265.51   3.166    292
   1261.85   3.157    327
   1257.21   3.145    289
   1246.22   3.118     41
   1241.22   3.105     32

in DMSO-d6