n-Propyl ether(111-43-3) MS
Product Namen-Propyl ether
CAS111-43-3
Molecular FormulaC6H14O
Molecular Weight102.17
InChIInChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3
InChIKey POLCUAVZOMRGSN-UHFFFAOYSA-N
SmilesO(CCC)CCC
-
MassMS-NW-0006 dipropyl ether C6H14O (Mass of molecular ion: 102)
Source Temperature: 200 °C Sample Temperature: 25 °C Reservoir, 75 eV
15.0 2.3 18.0 2.8 19.0 1.6 26.0 2.3 27.0 17.5 28.0 4.2 29.0 9.2 30.0 1.0 31.0 68.1 32.0 1.4 33.0 1.1 39.0 6.8 40.0 1.3 41.0 24.3 42.0 11.5 43.0 100.0 44.0 4.2 45.0 48.3 46.0 1.1 55.0 5.8 56.0 1.3 57.0 5.1 59.0 21.4 60.0 6.1 73.0 21.4 74.0 1.3 87.0 3.2 102.0 8.9
90 MHz in CDCl3
parameter in benzene
-
1H NMR 89.56 MHz C6 H14 O 0.04 ml : 0.5 ml CDCl3 dipropyl ether 
Assign. Shift(ppm)
A 3.365 B 1.59 C 0.93
Hz ppm Int.308.31 3.443 425 301.69 3.369 889 295.00 3.294 508 153.13 1.710 157 148.31 1.656 72 146.81 1.640 209 146.13 1.632 232 140.25 1.566 163 139.13 1.554 316 132.31 1.478 206 90.06 1.006 269 89.31 0.998 512 88.69 0.991 349 82.44 0.921 1000 81.69 0.913 563 75.44 0.843 169 74.69 0.834 308 73.63 0.823 180
-
1H NMR 300 MHz C6 H14 O 90 vol% in benzene dipropyl ether Parameter ppm Hz
D(A) 3.194 D(B) 1.449 D(C) 0.812 J(A,B) 6.45 J(A,C) 0.0 J(B,C) 7.43 SCHRUMPF,G. J.MAGN.RESON. 6, 243 (1972)
Hz ppm Int.964.69 3.216 372 958.24 3.194 759 951.81 3.173 390 452.46 1.508 37 444.98 1.483 131 438.49 1.462 255 431.10 1.437 264 424.58 1.415 139 417.30 1.391 44 250.88 0.836 517 243.46 0.812 1000 236.05 0.787 432
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
