3,5-DINITRO-L-TYROSINE MONOHYDRATE(17360-11-1) ¹³C NMR

Product Name3,5-DINITRO-L-TYROSINE MONOHYDRATE

CAS 17360-11-1

Molecular FormulaC9H9N3O7

Molecular Weight271.18

InChIInChI=1S/C9H9N3O7/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19/h2-3,5,13H,1,10H2,(H,14,15)/t5-/m0/s1

InChIKey SAZOSDSFLRXREA-YFKPBYRVSA-N

SmilesC(O)(=O)[C@H](CC1=CC([N+]([O-])=O)=C(O)C([N+]([O-])=O)=C1)N

Request For Quotation

¹HNMR

¹³CNMR

IR1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₉ N₃ O₇	0.033 g : 0.5 ml DMSO-d₆
3,5-dinitro-L-tyrosine

    Assign.     Shift(ppm)

      A             8.4
      B             7.952
      C             4.191
      D     *1      3.137
      E     *1      3.001

     Hz     ppm     Int.

   3351.75   8.387     41
   3178.25   7.953   1000
   1681.37   4.208     60
   1675.87   4.194     83
   1675.26   4.192     83
   1674.19   4.190     86
   1668.55   4.176     63
   1264.95   3.166     55
   1259.77   3.153     60
   1250.31   3.129     89
   1245.27   3.116     80
   1209.26   3.026     78
   1201.32   3.006     82
   1194.76   2.990     59
   1186.98   2.971     52

in DMSO-d6