5-Fluorosalicylic acid(345-16-4) 1H NMR
Product Name5-Fluorosalicylic acid
CAS345-16-4
Molecular FormulaC7H5FO3
Molecular Weight156.11
InChIInChI=1S/C7H5FO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKey JWPRICQKUNODPZ-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(F)=CC=C1O
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MassMS2003-02008WA 5-fluorosalicylic acid C7H5FO3 (Mass of molecular ion: 156)
Source Temperature: 250 °C Sample Temperature: 270 °C Reservoir, 70 eV
31.0 2.7 37.0 1.2 38.0 1.5 39.0 1.7 44.0 2.9 45.0 2.2 50.0 2.0 51.0 2.6 53.0 3.5 55.0 4.7 56.0 3.5 57.0 11.5 61.0 2.9 62.0 3.3 63.0 8.2 64.0 1.7 69.0 2.2 69.5 1.0 74.0 1.0 80.0 1.1 81.0 10.1 82.0 35.5 83.0 13.0 84.0 1.6 94.0 1.2 99.0 1.7 110.0 66.9 111.0 8.1 112.0 4.7 138.0 100.0 139.0 13.1 140.0 1.1 153.0 3.7 156.0 41.3 157.0 3.2 197.0 1.2 212.0 2.3
400 MHz in DMSO-d6
in CDCl3
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1H NMR 399.65 MHz C7 H5 F O3 0.039 g : 0.5 ml DMSO-d6 5-fluorosalicylic acid 
Assign. Shift(ppm)
A 7.524 B 7.410 C 7.003
Hz ppm Int.3013.18 7.540 854 3010.01 7.532 1000 3004.39 7.518 885 3000.98 7.510 942 2972.17 7.437 596 2968.75 7.429 465 2963.87 7.417 716 2963.13 7.415 722 2960.69 7.409 559 2959.72 7.406 626 2954.83 7.394 681 2951.66 7.386 511 2807.62 7.026 990 2803.22 7.015 949 2798.58 7.003 895 2793.95 6.991 870
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in CDCl3
KBr disc
Nujol
