Ethyl 3-furancarboxylate(614-98-2) IR1
Product NameEthyl 3-furancarboxylate
CAS614-98-2
Molecular FormulaC7H8O3
Molecular Weight140.14
InChIInChI=1S/C7H8O3/c1-2-10-7(8)6-3-4-9-5-6/h3-5H,2H2,1H3
InChIKey LOFDXZJSDVCYAS-UHFFFAOYSA-N
SmilesO1C=CC(C(OCC)=O)=C1
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MassMS-IW-3645 ethyl 3-furoate C7H8O3 (Mass of molecular ion: 140)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 3.0 29.0 4.5 37.0 1.5 38.0 4.0 39.0 14.4 45.0 2.8 66.0 1.1 67.0 3.6 68.0 1.3 95.0 100.0 96.0 9.7 97.0 2.6 112.0 29.3 113.0 1.7 125.0 4.2 140.0 17.0 141.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H8 O3 0.05 ml : 0.5 ml CDCl3 ethyl 3-furoate 
Assign. Shift(ppm)
A 8.020 B 7.426 C 6.747 D 4.302 E 1.339 J(A,B)=1.6HZ J(A,C)=0.9HZ J(B,C)=2.0HZ
Hz ppm Int.3206.42 8.024 352 3205.57 8.021 343 3204.83 8.020 369 3204.10 8.018 331 2969.73 7.431 303 2967.90 7.427 437 2966.31 7.423 325 2698.12 6.752 356 2697.27 6.750 337 2696.17 6.747 348 2695.43 6.745 343 1730.35 4.330 244 1723.27 4.312 612 1716.06 4.294 624 1708.98 4.277 250 542.11 1.357 651 539.67 1.351 44 535.03 1.339 1000 527.83 1.321 632
in CDCl3
liquid film
