1-Methyl-L-histidine(332-80-9) 1H NMR
Product Name1-Methyl-L-histidine
CAS332-80-9
Molecular FormulaC7H11N3O2
Molecular Weight169.18
InChIInChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
InChIKey BRMWTNUJHUMWMS-LURJTMIESA-N
SmilesC(O)(=O)[C@H](CC1N=CN(C)C=1)N
400 MHz in D2O
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1H NMR 399.65 MHz C7 H11 N3 O2 0.035 g : 0.5 ml D2O tele-methyl-L-histidine 
Assign. Shift(ppm)
A 7.594 B 6.988 C 3.969 D 3.677 E *1 3.154 F *1 3.061 SOLVENT PEAK SUPPRESSED
Hz ppm Int.3035.28 7.595 219 2792.85 6.989 223 1593.87 3.989 81 1589.11 3.977 92 1586.06 3.969 96 1581.30 3.957 84 1469.60 3.678 1000 1273.07 3.186 47 1268.31 3.174 46 1257.69 3.147 100 1252.93 3.136 92 1232.79 3.085 101 1224.85 3.065 95 1217.41 3.047 48 1209.47 3.027 47
in D2O
KBr disc
nujol mull
