ETHYL 5-(CHLOROMETHYL)-2-FURANCARBOXYLATE(2528-00-9) 13C NMR
Product NameETHYL 5-(CHLOROMETHYL)-2-FURANCARBOXYLATE
CAS2528-00-9
Molecular FormulaC8H9ClO3
Molecular Weight188.61
InChIInChI=1S/C8H9ClO3/c1-2-11-8(10)7-4-3-6(5-9)12-7/h3-4H,2,5H2,1H3
InChIKey JBACYJRMCXLIQU-UHFFFAOYSA-N
SmilesO1C(CCl)=CC=C1C(OCC)=O
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MassMS-IW-9445 ethyl 5-chloromethyl-2-furoate C8H9ClO3 (Mass of molecular ion: 188)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 4.1 27.0 8.6 28.0 4.2 29.0 11.2 36.0 3.4 37.0 1.0 38.0 2.6 39.0 2.0 41.0 1.2 43.0 1.6 44.0 2.0 45.0 3.5 49.0 1.9 50.0 4.7 51.0 15.8 52.0 16.1 53.0 4.1 69.0 1.9 79.0 12.3 80.0 10.4 81.0 5.7 87.0 2.5 95.0 4.4 97.0 8.3 108.0 11.3 109.0 4.4 115.0 1.4 125.0 52.2 126.0 4.2 143.0 30.1 144.0 4.0 145.0 10.1 146.0 1.3 153.0 100.0 154.0 9.4 155.0 1.0 160.0 3.7 162.0 1.3 188.0 15.6 189.0 1.5 190.0 5.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H9 Cl O3 0.05 ml : 0.5 ml CDCl3 ethyl 5-chloromethyl-2-furoate 
Assign. Shift(ppm)
A 7.127 B 6.505 C 4.615 D 4.369 E 1.378
Hz ppm Int.2850.34 7.133 307 2846.80 7.124 303 2601.56 6.510 287 2598.02 6.501 273 1844.36 4.615 844 1757.08 4.397 201 1750.00 4.379 549 1742.80 4.361 553 1735.72 4.344 201 558.11 1.397 586 555.54 1.391 35 551.03 1.379 1000 543.82 1.361 563
in CDCl3
liquid film
