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Back ChemicalBook Home>CAS DataBase List>4294-16-0More Spectrum> N6-Benzyladenosine(4294-16-0) 1H NMR

4294-16-0

N6-Benzyladenosine(4294-16-0) 1H NMR

Product NameN6-Benzyladenosine

CAS4294-16-0

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

  • N6-Benzyladenosine(4294-16-0) <sup>1</sup>H NMR


        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

  • N6-Benzyladenosine(4294-16-0) <sup>1</sup>H NMR


           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

  • N6-Benzyladenosine(4294-16-0) <sup>1</sup>H NMR

    Spectral Code: IR : KBr disc

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