3,5-DINITRO-L-TYROSINE MONOHYDRATE(17360-11-1) 13C NMR
Product Name3,5-DINITRO-L-TYROSINE MONOHYDRATE
CAS17360-11-1
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
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
nujol mull
