4-Fluorobenzamide(824-75-9) MS
Product Name4-Fluorobenzamide
CAS824-75-9
Molecular FormulaC7H6FNO
Molecular Weight139.13
InChIInChI=1S/C7H6FNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey VNDHYTGVCGVETQ-UHFFFAOYSA-N
SmilesC(N)(=O)C1=CC=C(F)C=C1
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MassMS-NW-6918 p-fluorobenzamide C7H6FNO (Mass of molecular ion: 139)
Source Temperature: 270 °C Sample Temperature: 200 °C Reservoir, 75 eV
16.0 1.1 27.0 1.0 28.0 1.3 31.0 2.7 37.0 4.1 38.0 3.4 39.0 2.9 44.0 10.7 45.0 1.6 49.0 2.8 50.0 14.5 51.0 7.3 52.0 1.7 55.5 1.8 56.0 1.8 57.0 4.4 61.0 3.1 62.0 3.0 63.0 3.5 68.0 5.9 69.0 8.2 70.0 3.9 73.0 2.5 74.0 9.8 75.0 35.3 76.0 4.2 81.0 1.2 83.0 2.8 92.0 1.9 93.0 2.7 94.0 8.6 95.0 80.1 96.0 9.7 110.0 1.2 121.0 4.8 122.0 1.9 123.0 100.0 124.0 8.3 139.0 61.7 140.0 5.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H6 F N O 0.05 g : 0.5 ml DMSO-d6 p-fluorobenzamide 
Assign. Shift(ppm)
A *1 7.46 B 7.988 C *1 8.06 D 7.302 J(B,D)=J(D,F-19)=8.9HZ, J(B,F-19)=5.6HZ
Hz ppm Int.3222.90 8.065 162 3204.35 8.018 42 3202.51 8.014 81 3199.58 8.006 506 3197.39 8.001 218 3193.97 7.992 542 3191.89 7.987 277 3190.67 7.984 572 3187.26 7.976 215 3185.06 7.970 526 3182.13 7.963 74 2981.20 7.460 158 2931.52 7.336 35 2929.93 7.332 77 2927.00 7.324 535 2924.80 7.319 191 2920.17 7.307 211 2918.09 7.302 1000 2916.02 7.297 217 2911.25 7.285 174 2909.18 7.280 505 2906.13 7.272 65
KBr disc
nujol mull
4880 A,200 M,powder
