D-Histidine hydrochloride monohydrate(6341-24-8) 1H NMR
Product NameD-Histidine hydrochloride monohydrate
CAS6341-24-8
Molecular FormulaC6H12ClN3O3
Molecular Weight209.63
InChIInChI=1/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2/t5-;;/s3
InChIKey CMXXUDSWGMGYLZ-WHWWGIJDNA-N
SmilesC(O)(=O)[C@@H](CC1N=CNC=1)N.[H]Cl.[H]O[H] |&1:3,r|
400 MHz in D2O
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1H NMR 399.65 MHz C6 H9 N3 O2 0.041 g : 0.5 ml D2O D-histidine hydrochloride 
Assign. Shift(ppm)
A 8.689 B 7.430 C 4.071 D *1 3.391 E *1 3.367
Hz ppm Int.3473.51 8.692 900 3472.05 8.688 1000 2970.21 7.433 741 2969.48 7.431 758 2968.87 7.429 815 1634.03 4.089 561 1627.69 4.073 740 1627.20 4.072 912 1623.41 4.063 38 1622.44 4.060 56 1620.85 4.056 640 1372.07 3.434 61 1371.22 3.432 71 1365.72 3.418 70 1364.87 3.416 79 1356.08 3.394 525 1355.22 3.392 594 1352.29 3.384 539 1351.56 3.382 618 1349.85 3.378 562 1349.00 3.376 595 1345.46 3.367 503 1344.73 3.365 574 1336.43 3.345 70 1335.69 3.343 78 1329.59 3.327 65 1328.86 3.326 74
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
