3-Fluorophthalic anhydride(652-39-1) MS
Product Name3-Fluorophthalic anhydride
CAS652-39-1
Molecular FormulaC8H3FO3
Molecular Weight166.11
InChIInChI=1S/C8H3FO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H
InChIKey WWJAZKZLSDRAIV-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C(F)=CC=C2)C(=O)O1
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MassMS-IW-7556 3-fluorophthalic anhydride C8H3FO3 (Mass of molecular ion: 166)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
28.0 1.8 31.0 3.1 37.0 6.3 38.0 1.7 47.0 10.3 49.0 2.3 50.0 12.4 51.0 7.3 56.0 1.1 61.0 11.5 62.0 3.6 63.0 2.8 68.0 17.3 69.0 1.0 73.0 3.0 74.0 10.7 75.0 5.9 92.0 4.0 93.0 6.5 94.0 98.1 95.0 6.7 122.0 100.0 123.0 7.8 166.0 58.9 167.0 5.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H3 F O3 0.038 g : 0.5 ml DMSO-d6 3-fluorophthalic anhydride 
Assign. Shift(ppm)
A 8.056 B 7.937 C 7.854
Hz ppm Int.3230.71 8.084 255 3226.20 8.073 267 3223.27 8.066 387 3222.41 8.064 389 3218.63 8.054 408 3217.90 8.052 380 3214.84 8.045 401 3210.33 8.033 397 3206.67 8.024 28 3205.81 8.022 23 3175.17 7.945 1000 3171.63 7.937 64 3171.26 7.936 64 3167.72 7.927 743 3147.71 7.877 430 3147.22 7.875 449 3138.55 7.854 690 3130.13 7.833 362 3129.52 7.831 369
KBr disc
nujol mull
