Ethyl 4-fluorobenzoate(451-46-7) Raman
Product NameEthyl 4-fluorobenzoate
CAS451-46-7
Molecular FormulaC9H9FO2
Molecular Weight168.16
InChIInChI=1S/C9H9FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey UMPRJGKLMUDRHL-UHFFFAOYSA-N
SmilesC(OCC)(=O)C1=CC=C(F)C=C1
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MassMS-NW-5483 ethyl p-fluorobenzoate C9H9FO2 (Mass of molecular ion: 168)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 3.7 28.0 1.0 29.0 4.5 45.0 3.8 50.0 3.0 51.0 1.8 68.0 1.2 69.0 2.5 74.0 1.9 75.0 11.5 76.0 1.1 94.0 2.5 95.0 33.5 96.0 3.3 123.0 100.0 124.0 9.5 125.0 1.0 140.0 32.3 141.0 2.8 153.0 1.3 167.0 1.1 168.0 13.3 169.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H9 F O2 0.04 ml : 0.5 ml CDCl3 ethyl p-fluorobenzoate 
Assign. Shift(ppm)
A 8.053 B 7.096 C 4.365 D 1.387
Hz ppm Int.728.69 8.137 208 726.56 8.113 68 723.25 8.076 215 721.88 8.061 83 721.06 8.052 76 719.63 8.036 249 716.38 7.999 73 714.19 7.975 245 643.69 7.188 257 641.50 7.163 69 637.94 7.124 33 636.81 7.111 64 635.19 7.093 342 634.63 7.087 272 633.00 7.068 74 628.31 7.016 60 626.13 6.992 195 402.00 4.489 119 394.75 4.408 437 387.63 4.329 460 380.63 4.251 143 131.13 1.465 467 124.06 1.386 1000 116.94 1.306 412
in CDCl3
liquid film
4880 A,200 M,liquid
