Diphenyl ether(101-84-8) MS
Product NameDiphenyl ether
CAS101-84-8
Molecular FormulaC12H10O
Molecular Weight170.21
InChIInChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
InChIKey USIUVYZYUHIAEV-UHFFFAOYSA-N
SmilesO(C1=CC=CC=C1)C1=CC=CC=C1
-
MassMS-NW-0562 diphenyl ether C12H10O (Mass of molecular ion: 170)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 2.0 38.0 2.1 39.0 8.8 50.0 5.2 51.0 24.3 52.0 1.3 55.0 1.1 63.0 2.9 64.0 1.3 65.0 5.2 66.0 1.6 70.0 1.7 71.0 2.3 74.0 1.5 75.0 1.2 76.0 1.5 77.0 32.8 78.0 2.5 85.0 1.4 94.0 4.2 115.0 8.6 116.0 1.6 139.0 1.5 141.0 38.0 142.0 26.9 143.0 2.9 168.0 1.4 169.0 16.4 170.0 100.0 171.0 13.4 172.0 1.0
parameter in CDCl3
-
1H NMR 300 MHz C12 H10 O 10 wt% in CCl4 diphenyl ether 
Parameter ppm Hz
D(A) 6.925 D(B) 7.218 D(C) 6.977 J(A,A') 2.63 J(A,B) 8.25 J(A,B') 0.46 J(A,C) 1.11 J(A',B) 0.46 J(A',B') 8.25 J(A',C) 1.11 J(B,B') 1.73 J(B,C) 7.41 J(B',C) 7.41 CASTELLANO,S. ET AL. TETRAHEDRON LETT. 1967, 5205
Hz ppm Int.2176.03 7.253 80 2173.79 7.246 458 2171.65 7.239 209 2168.74 7.229 114 2166.34 7.221 810 2165.28 7.218 745 2163.01 7.210 135 2159.75 7.199 297 2157.80 7.193 727 2155.44 7.185 114 2101.28 7.004 182 2100.16 7.001 361 2099.03 6.997 239 2094.19 6.981 189 2092.78 6.976 562 2091.28 6.971 228 2086.48 6.955 147 2085.36 6.951 279 2084.18 6.947 309 2082.21 6.941 861 2081.05 6.937 1000 2078.85 6.929 268 2075.44 6.918 295 2074.53 6.915 472 2073.46 6.912 794 2072.44 6.908 674 2069.85 6.899 84
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
