DIETHYL BIPHENYL-4,4'-DICARBOXYLATE(47230-38-6) MS
Product NameDIETHYL BIPHENYL-4,4'-DICARBOXYLATE
CAS47230-38-6
Molecular FormulaC18H18O4
Molecular Weight298.33
InChIInChI=1S/C18H18O4/c1-3-21-17(19)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(20)22-4-2/h5-12H,3-4H2,1-2H3
InChIKey SYTZNHBXNLYWAK-UHFFFAOYSA-N
SmilesC1(C2=CC=C(C(OCC)=O)C=C2)=CC=C(C(OCC)=O)C=C1
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MassMS-NW-2362 diethyl 4,4'-biphenyldicarboxylate C18H18O4 (Mass of molecular ion: 298)
Source Temperature: 220 °C Sample Temperature: 150 °C Direct, 75 eV
15.0 1.1 18.0 3.0 26.0 1.8 27.0 9.0 28.0 5.0 29.0 33.7 39.0 1.3 45.0 3.4 50.0 2.6 51.0 2.9 62.0 1.0 63.0 5.0 74.0 2.4 75.0 4.2 75.5 1.3 76.0 13.7 76.5 1.6 77.0 2.8 87.0 1.5 90.0 5.6 99.0 1.0 101.0 1.5 102.0 1.8 104.0 6.7 104.5 1.1 105.0 2.3 113.0 1.1 115.0 1.7 125.0 1.5 126.0 4.5 127.0 2.1 139.0 1.6 141.0 2.6 149.0 1.1 150.0 6.4 151.0 17.6 152.0 57.5 153.0 25.5 154.0 2.9 165.0 4.0 166.0 3.6 179.0 3.9 180.0 8.6 181.0 7.8 182.0 1.2 196.0 1.5 197.0 1.8 198.0 1.0 209.0 3.4 225.0 37.0 226.0 9.4 227.0 1.3 242.0 10.1 243.0 1.5 253.0 100.0 254.0 20.6 255.0 2.9 270.0 11.6 271.0 2.1 283.0 1.0 297.0 1.1 298.0 55.2 299.0 11.0 300.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C18 H18 O4 0.045 g : 0.5 ml CDCl3 diethyl 4,4'-biphenyldicarboxylate 
Assign. Shift(ppm)
A 8.123 B 7.678 C 4.405 D 1.418
Hz ppm Int.734.50 8.202 38 732.63 8.181 316 732.06 8.174 204 730.69 8.159 105 726.00 8.107 117 723.94 8.084 472 722.25 8.065 81 692.94 7.738 70 691.25 7.719 461 689.19 7.696 125 684.56 7.644 96 683.13 7.628 200 682.56 7.622 315 680.81 7.602 45 405.44 4.528 105 398.31 4.448 384 391.19 4.368 402 384.19 4.290 122 133.94 1.496 422 126.88 1.417 1000 119.69 1.337 377
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
