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146-48-5

育亨賓(146-48-5)紅外圖譜(IR1)

產(chǎn)品名稱:育亨賓

CAS:146-48-5

分子式:C21H26N2O3

分子量: 354.44

InChI:InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1

InChIKey: BLGXFZZNTVWLAY-SCYLSFHTSA-N

Smiles:[C@@H]1(O)[C@H](C(OC)=O)[C@]2(C[C@@]3(N(C[C@@]2(CC1)[H])CCC1C2=C(NC3=1)C=CC=C2)[H])[H]

  • 圖譜


        Assign.     Shift(ppm)
    
      A             7.86
      B             7.463
      C             7.288
      D             7.123
      E             7.020
      F             4.224
      G             3.802
      J             3.303
      K     *1      3.066
      L     *2      2.98
      M     *3      2.934
      N     *1      2.711
      P     *3      2.608
      Q             2.340
      R     *2      2.225
      S     *2      2.00
      T     *2      1.56
      U             1.42
      V             1.347
     
     ASSIGNED BY H-H COSY.
    Spectral Code: 1H NMR : 400 MHz in CDCl3

  • 圖譜


           ppm   Int.  Assign.
    
      175.64  1000      1
      136.01   800      2
      134.53   940      3
      127.41   680      4
      121.36   820      5
      119.39   660      6
      118.15   680      7
      110.75   760      8
      108.25   840      9
       67.00   740     10
       61.34   620     11
       59.86   640     12
       52.87   640     13
       52.38   760     14
       51.97   780     15
       40.72   620     16
       36.70   720     17
       34.34   540     18
       31.51   560     19
       23.31   500     20
       21.74   500     21
     
     ASSIGNED BY C-H COSY.
    Spectral Code: 13C NMR : in CDCl3

  • 圖譜

    Spectral Code: IR : KBr disc

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