H-HIS-ALA-OH(16874-75-2) IR1
Molecular FormulaC9H14N4O3
Molecular Weight226.23
InChIInChI=1S/C9H14N4O3/c1-5(9(15)16)13-8(14)7(10)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,7-/m0/s1
InChIKey FRJIAZKQGSCKPQ-FSPLSTOPSA-N
SmilesC(O)(=O)[C@H](C)NC(=O)[C@H](CC1N=CNC=1)N
-
![](https://www.chemicalbook.com/Spectrum/16874-75-2_13CNMR_0.jpg)
ppm Int. Assign.
180.30 169 1
171.33 196 2
136.42 658 3
130.38 247 4
119.05 764 5
54.07 884 6
51.99 955 7
29.69 1000 8
18.13 918 9
Spectral Code: 13C NMR : in D2O
-
![](https://www.chemicalbook.com/Spectrum/16874-75-2_IR1_0.jpg)
Spectral Code: IR : liquid film