DL-Carnitine hydrochloride(461-05-2) IR2
Product NameDL-Carnitine hydrochloride
CAS461-05-2
Molecular FormulaC7H16ClNO3
Molecular Weight197.66
InChIInChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H
InChIKey JXXCENBLGFBQJM-UHFFFAOYSA-N
SmilesC(C(O)CC(=O)O)[N+](C)(C)C.[Cl-]
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MassMS-NW-0417 DL-carnitine hydrochloride C7H15NO3 HCl (Mass of molecular ion: 161)
Source Temperature: 210 °C Sample Temperature: 170 °C Direct, 75 eV
14.0 1.9 15.0 8.4 18.0 5.1 26.0 3.6 27.0 12.9 28.0 4.0 29.0 9.1 30.0 15.4 31.0 6.8 35.0 3.4 36.0 28.4 37.0 1.4 38.0 9.4 39.0 4.2 40.0 2.6 41.0 4.4 42.0 23.3 43.0 31.9 44.0 81.4 45.0 5.4 54.0 3.5 55.0 15.8 56.0 1.9 57.0 6.5 58.0 100.0 59.0 40.8 60.0 1.3 71.0 1.5 74.0 19.8 84.0 8.8 102.0 7.3
90 MHz in D2O
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1H NMR 89.56 MHz C7 H15 N O3 0.046 g : 0.5 ml D2O DL-carnitine hydrochloride 
Assign. Shift(ppm)
B 4.67 C *1 3.51 D *1 3.46 E 3.229 F *2 2.64 G *2 2.68 THE SOLVENT SIGNAL AT 4.75 PPM REMOVED.
Hz ppm Int.427.31 4.772 33 426.81 4.766 34 426.50 4.763 34 425.81 4.755 35 425.50 4.752 35 424.81 4.744 34 418.19 4.670 28 418.00 4.668 28 315.50 3.523 81 314.63 3.514 77 309.31 3.454 109 289.25 3.230 1000 240.69 2.688 159 234.81 2.622 97 233.69 2.610 95
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
