N6-BENZYLADENOSINE(4294-16-0) ¹H NMR

Molecular FormulaC17H19N5O4

Molecular Weight357.36

InChIInChI=1S/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1

InChIKey MRPKNNSABYPGBF-LSCFUAHRSA-N

SmilesOC[C@H]1O[C@@H](N2C3C(=C(N=CN=3)NCC3=CC=CC=C3)N=C2)[C@H](O)[C@@H]1O

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             8.47
      B             8.401
      C             8.23
      D             7.347
      E             7.296
      F             7.213
      G             5.924
      J             5.48
      K             5.43
      L             5.22
      M             4.73
      N             4.647
      D             4.179
      Q             3.997
      R     *1      3.695
      S     *1      3.580
     
     ASSIGNED BY H-H COSY

Spectral Code: 1H NMR : 400 MHz in DMSO-d6

       ppm   Int.  Assign.

      155.41   290      1
      153.08   330      2
      149.57    81      3
      140.74   482      4
      140.59   289      5
      128.92   999      6
      127.89  1000      7
      127.35   386      8
      120.40   190      9
       88.80   326     10
       86.66   342     11
       74.33   361     12
       71.40   375     13
       62.43   291     14
       44.08   105     15

Spectral Code: 13C NMR : in DMSO-d6