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Back ChemicalBook Home>CAS DataBase List>16874-75-2More Spectrum> H-HIS-ALA-OH(16874-75-2) IR1

H-HIS-ALA-OH(16874-75-2) IR1

Product NameH-HIS-ALA-OH

CAS16874-75-2

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



  •        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


  • Spectral Code: IR : liquid film

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