DL-HISTIDINE MONOHYDROCHLORIDE(6459-59-2) IR2
Product NameDL-HISTIDINE MONOHYDROCHLORIDE
CAS6459-59-2
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62
InChIInChI=1S/C6H9N3O2.ClH/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H
InChIKey QZNNVYOVQUKYSC-UHFFFAOYSA-N
SmilesC(O)(=O)C(CC1N=CNC=1)N.[H]Cl
400 MHz in D2O
-
1H NMR 399.65 MHz C6 H9 N3 O2 0.037 g : 0.5 ml D2O DL-histidine hydrochloride 
Assign. Shift(ppm)
A 8.697 B 7.425 C 4.067 D *1 3.389 E *1 3.364 SOLVENT PEAK REMOVED
Hz ppm Int.3476.44 8.699 1000 3475.10 8.696 977 2967.53 7.426 822 2966.92 7.424 791 1632.08 4.084 485 1625.61 4.068 731 1625.24 4.067 755 1622.56 4.060 44 1618.90 4.051 538 1370.24 3.429 61 1369.51 3.427 56 1364.01 3.414 68 1363.40 3.412 64 1354.37 3.389 574 1353.76 3.388 564 1350.95 3.381 610 1348.14 3.374 570 1347.53 3.372 544 1344.12 3.364 559 1335.21 3.341 70 1334.59 3.340 66 1328.25 3.324 68 1327.64 3.323 65
in D2O
KBr disc
nujol mull
