Furan(110-00-9) Raman
Molecular FormulaC4H4O
Molecular Weight68.07
InChIInChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
InChIKey YLQBMQCUIZJEEH-UHFFFAOYSA-N
SmilesO1C=CC=C1
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MassMS-NW-0016 furan C4H4O (Mass of molecular ion: 68)
Source Temperature: 200 °C Sample Temperature: 65 °C Reservoir, 75 eV
14.0 1.5 18.0 4.2 26.0 1.7 28.0 5.3 29.0 10.3 32.0 1.5 34.0 2.8 36.0 1.2 37.0 8.0 38.0 13.3 39.0 96.0 40.0 13.2 42.0 7.8 68.0 100.0 69.0 4.3
parameter in DMSO-d6
90 MHz in CDCl3
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1H NMR 300 MHz C4 H4 O 50 % in DMSO furan 
Parameter ppm Hz
D(A) 7.646 D(B) 6.465 J(A,A') 1.49 J(A,B) 1.75 J(A,B') 0.81 J(A',B) 0.81 J(A',B') 1.75 J(B,B') 3.27 LUNAZZI,L. MOL.PHYS. 18, 413 (1970)
Hz ppm Int.2295.04 7.650 610 2293.81 7.646 1000 2292.58 7.642 618 1940.73 6.469 617 1939.51 6.465 1000 1938.27 6.461 611
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1H NMR 89.56 MHz C4 H4 O 0.04 ml : 0.5 ml CDCl3 furan Assign. Shift(ppm)
A 7.435 B 6.380
Hz ppm Int.667.31 7.451 622 665.94 7.436 969 664.75 7.423 725 572.88 6.397 655 571.56 6.382 1000 570.31 6.368 687 566.88 6.330 26 566.38 6.325 26
in CDCl3
liquid film
