DIPROPYL SULFATE(598-05-0) 13C NMR
Product NameDIPROPYL SULFATE
CAS598-05-0
Molecular FormulaC6H14O4S
Molecular Weight182.24
InChIInChI=1S/C6H14O4S/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3
InChIKey JYCKNDWZDXGNBW-UHFFFAOYSA-N
SmilesS(OCCC)(OCCC)(=O)=O
-
MassMS-IW-9143 dipropyl sulfate C6H14O4S (Mass of molecular ion: 182)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 6.9 28.0 4.4 29.0 2.6 31.0 4.1 39.0 5.0 40.0 1.7 41.0 16.7 42.0 18.7 43.0 100.0 44.0 3.4 45.0 3.0 55.0 3.3 56.0 1.2 59.0 3.5 64.0 1.5 73.0 18.4 141.0 1.1
400 MHz in CDCl3
-
1H NMR 399.65 MHz C6 H14 O4 S 0.05 ml : 0.5 ml CDCl3 dipropyl sulfate 
Assign. Shift(ppm)
A 4.225 B 1.802 C 1.019
Hz ppm Int.1695.31 4.242 486 1688.84 4.226 789 1682.25 4.210 465 737.67 1.846 62 731.08 1.830 145 730.10 1.827 199 727.66 1.821 29 723.63 1.811 367 722.78 1.809 239 717.04 1.795 240 716.19 1.793 369 709.59 1.776 200 708.86 1.774 158 702.27 1.758 66 414.43 1.037 644 407.10 1.019 1000 402.71 1.008 39 399.54 1.000 568 393.92 0.986 22
in CDCl3
liquid film
