2-Chloro-3-methoxypropionamidine hydrochloride(175136-99-9) 1H NMR
Product Name2-Chloro-3-methoxypropionamidine hydrochloride
CAS175136-99-9
Molecular FormulaC4H10Cl2N2O
Molecular Weight173.04
InChIInChI=1S/C4H9ClN2O.ClH/c1-8-2-3(5)4(6)7;/h3H,2H2,1H3,(H3,6,7);1H
InChIKey SFVRDLNUUFHMJI-UHFFFAOYSA-N
SmilesC(N)(=N)C(Cl)COC.[H]Cl
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MassMS-IW-2760 2-chloro-3-methoxypropionamidine hydrochloride C4H9ClN2O HCl (Mass of molecular ion: 136)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 4.0 17.0 1.1 18.0 4.8 26.0 1.1 27.0 4.2 28.0 6.7 29.0 4.5 30.0 9.9 31.0 3.1 33.0 2.6 35.0 3.8 36.0 32.3 37.0 1.3 38.0 11.0 40.0 1.0 41.0 2.4 42.0 7.8 43.0 55.7 44.0 2.8 45.0 29.6 49.0 1.2 52.0 2.3 54.0 4.5 58.0 2.5 59.0 1.2 60.0 5.5 61.0 1.0 62.0 16.6 63.0 1.0 64.0 6.4 68.0 1.4 69.0 17.4 70.0 1.5 71.0 14.3 75.0 2.1 76.0 1.3 78.0 1.1 84.0 27.9 85.0 4.6 86.0 1.3 88.0 1.2 101.0 100.0 102.0 5.3 104.0 2.9 105.0 1.4 106.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H9 Cl N2 O 0.044 g : 0.5 ml DMSO-d6 2-chloro-3-methoxypropionamidine hydrochloride 
Assign. Shift(ppm)
A *1 9.70 B *1 9.44 C 5.176 D *2 3.946 E *2 3.818 F 3.348 J(D,E)=-11.0HZ J(C,D)=7.5HZ J(C,E)=6.1HZ
Hz ppm Int.3877.87 9.704 72 3772.43 9.440 69 2075.50 5.194 42 2069.24 5.178 65 2068.18 5.175 59 2062.07 5.160 45 1587.37 3.972 48 1579.90 3.954 49 1576.39 3.945 69 1569.06 3.927 66 1533.81 3.838 66 1527.71 3.823 70 1522.98 3.811 54 1516.88 3.796 47 1338.04 3.349 1000
in DMSO-d6
KBr disc
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