Yohimbine(146-48-5) IR1

Molecular FormulaC21H26N2O3

Molecular Weight354.44

InChIInChI=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]

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¹HNMR

¹³CNMR

IR1

Yohimbine(146-48-5) IR1

    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

Yohimbine(146-48-5) IR1

       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