5-Fluoro-1,3-isobenzofurandione(319-03-9) 1H NMR
Product Name5-Fluoro-1,3-isobenzofurandione
CAS319-03-9
Molecular FormulaC8H3FO3
Molecular Weight166.11
InChIInChI=1S/C8H3FO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H
InChIKey XVMKZAAFVWXIII-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C=C(F)C=C2)C(=O)O1
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MassMS-IW-4946 4-fluorophthalic anhydride C8H3FO3 (Mass of molecular ion: 166)
Source Temperature: 160 °C Sample Temperature: 140 °C Direct, 75 eV
28.0 1.9 31.0 2.8 37.0 6.0 38.0 1.6 47.0 5.0 49.0 2.2 50.0 15.5 51.0 10.4 56.0 1.1 61.0 10.4 62.0 3.8 63.0 3.0 68.0 11.7 73.0 3.5 74.0 11.6 75.0 5.8 92.0 3.8 93.0 6.7 94.0 92.1 95.0 6.5 122.0 100.0 123.0 7.9 166.0 39.9 167.0 3.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H3 F O3 0.040 g : 0.5 ml CDCl3 4-fluorophthalic anhydride 
Assign. Shift(ppm)
A 8.076 B 7.700 C 7.629
Hz ppm Int.3234.62 8.094 576 3234.01 8.093 571 3230.22 8.083 625 3229.74 8.082 574 3226.20 8.073 665 3225.71 8.072 624 3221.80 8.062 625 3221.31 8.061 604 3082.15 7.713 599 3081.67 7.711 584 3079.83 7.707 671 3079.35 7.706 641 3075.56 7.696 584 3074.95 7.695 582 3073.24 7.690 689 3072.75 7.689 621 3058.47 7.653 572 3056.15 7.648 494 3054.44 7.643 42 3050.05 7.632 1000 3047.73 7.626 851 3041.50 7.611 539 3039.31 7.605 435
in CDCl3
KBr disc
nujol mull
