Ethyl benzoate(93-89-0) Raman
Product NameEthyl benzoate
CAS93-89-0
Molecular FormulaC9H10O2
Molecular Weight150.17
InChIInChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey MTZQAGJQAFMTAQ-UHFFFAOYSA-N
SmilesC(OCC)(=O)C1=CC=CC=C1
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MassMS-NW-0439 ethyl benzoate C9H10O2 (Mass of molecular ion: 150)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 3.8 28.0 1.0 29.0 3.3 39.0 1.2 45.0 1.5 50.0 5.4 51.0 16.0 52.0 1.0 74.0 1.6 75.0 1.2 76.0 2.4 77.0 40.6 78.0 4.0 105.0 100.0 106.0 9.1 122.0 30.7 123.0 2.6 135.0 1.0 149.0 1.7 150.0 21.8 151.0 2.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H10 O2 0.05 ml : 0.5 ml CDCl3 ethyl benzoate 
Assign. Shift(ppm)
A 8.05 B 7.52 C 7.41 D 4.355 E 1.380
Hz ppm Int.728.38 8.133 44 725.56 8.102 226 724.00 8.084 238 722.38 8.066 121 721.50 8.057 104 720.06 8.040 111 718.50 8.023 220 718.06 8.018 214 715.81 7.993 257 683.06 7.627 32 681.31 7.608 34 676.38 7.553 91 675.19 7.539 113 671.50 7.498 212 669.69 7.478 501 667.63 7.455 194 665.88 7.436 101 663.88 7.413 138 662.88 7.402 173 662.25 7.395 202 660.31 7.373 39 659.38 7.363 36 658.06 7.348 42 656.56 7.331 64 655.13 7.315 31 653.44 7.297 42 402.00 4.489 134 394.69 4.407 439 391.19 4.368 30 387.56 4.328 462 380.56 4.250 156 130.56 1.458 490 128.50 1.435 39 123.50 1.379 1000 120.00 1.340 38 116.31 1.299 431
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
