3-Dimethylaminopropane-1,2-diol(623-57-4) 13C NMR
Product Name3-Dimethylaminopropane-1,2-diol
CAS623-57-4
Molecular FormulaC5H13NO2
Molecular Weight119.16
InChIInChI=1S/C5H13NO2/c1-6(2)3-5(8)4-7/h5,7-8H,3-4H2,1-2H3
InChIKey QCMHUGYTOGXZIW-UHFFFAOYSA-N
SmilesC(O)C(O)CN(C)C
-
MassMS-IW-0916 (+-)-3-(dimethylamino)-1,2-propanediol C5H13NO2 (Mass of molecular ion: 119)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.1 28.0 1.3 29.0 1.5 30.0 5.8 42.0 5.3 43.0 2.6 44.0 8.4 45.0 3.8 56.0 1.1 57.0 2.4 58.0 100.0 59.0 4.4 88.0 13.0 119.0 2.9
400 MHz in CDCl3
-
1H NMR 399.65 MHz C5 H13 N O2 0.05 ml : 0.5 ml CDCl3 (+-)-3-(dimethylamino)-1,2-propanediol 
Assign. Shift(ppm)
A 4.8 B 3.791 C *1 3.624 D *1 3.485 E *2 2.486 F 2.281 G *2 2.235 J(B,C)=3.8HZ J(B,D)=5.7HZ J(B,E)=9.0HZ J(B,G)=4.0HZ J(C,D)=-11.4HZ J(E,G)=-12.5HZ
Hz ppm Int.1914.31 4.790 54 1523.19 3.812 47 1521.48 3.808 35 1517.46 3.797 61 1514.04 3.789 58 1510.38 3.780 34 1508.54 3.775 49 1456.67 3.645 90 1452.88 3.636 81 1445.31 3.617 126 1441.41 3.607 109 1400.51 3.505 120 1394.78 3.491 111 1389.16 3.476 88 1383.42 3.462 79 1004.88 2.515 78 995.85 2.492 80 992.43 2.484 96 983.40 2.461 92 911.87 2.282 1000 900.63 2.254 120 899.17 2.250 66 896.61 2.244 113 888.18 2.223 94 884.03 2.213 88
in CDCl3
liquid film
