1-O-HEXADECYL-RAC-GLYCEROL(6145-69-3) IR2
Product Name1-O-HEXADECYL-RAC-GLYCEROL
CAS6145-69-3
Molecular FormulaC19H40O3
Molecular Weight316.52
InChIInChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20/h19-21H,2-18H2,1H3
InChIKey OOWQBDFWEXAXPB-UHFFFAOYSA-N
SmilesC(O)C(O)COCCCCCCCCCCCCCCCC
400 MHz in CDCl3
-
1H NMR 399.65 MHz C19 H40 O3 0.032 g : 0.5 ml CDCl3 DL-3-hexadecyloxy-1,2-propanediol 
Assign. Shift(ppm)
A 3.87 B *1 3.712 C *1 3.645 D *2 3.53 E *2 3.50 F *3 3.47 G *3 3.46 J *4 2.8 K *4 2.5 L 1.58 M 1.30 N 1.26 P 0.881 J(B,C)=-11.5HZ J(B,A)=3.8HZ J(C,A)=5.4HZ J(D,E)=-9.8HZ J(D,A)=4.0HZ J(E,A)=6.1HZ J(F,G)=-9.4HZ J(G,L)=J(F,L)=6.7HZ
Hz ppm Int.1463.26 3.662 34 1457.89 3.648 30 1408.57 3.525 65 1404.54 3.515 66 1403.32 3.512 76 1397.22 3.497 63 1392.46 3.485 34 1389.89 3.478 33 1387.45 3.472 30 1385.74 3.468 62 1383.30 3.462 60 1379.15 3.451 32 1376.59 3.445 31 630.13 1.577 31 526.73 1.318 53 526.00 1.317 52 514.77 1.289 111 502.32 1.257 1000 492.19 1.232 33 490.23 1.227 36 358.76 0.898 56 352.05 0.881 167 344.97 0.864 64
in CDCl3
CCl4 solution
KBr disc
4880 A,200 M,powder
