3-FLUOROBENZAMIDE(455-37-8) MS
Product Name3-FLUOROBENZAMIDE
CAS455-37-8
Molecular FormulaC7H6FNO
Molecular Weight139.13
InChIInChI=1S/C7H6FNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey YPIGHNIIXYSPKF-UHFFFAOYSA-N
SmilesC(N)(=O)C1=CC=CC(F)=C1
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MassMS-NW-6919 m-fluorobenzamide C7H6FNO (Mass of molecular ion: 139)
Source Temperature: 280 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.0 31.0 1.4 37.0 1.9 38.0 1.6 39.0 2.9 44.0 10.4 45.0 1.1 49.0 1.6 50.0 9.8 51.0 4.6 55.5 1.9 57.0 2.8 61.0 1.6 62.0 2.2 63.0 2.5 68.0 5.1 69.0 7.0 70.0 4.2 73.0 1.4 74.0 6.2 75.0 25.6 76.0 3.5 83.0 1.9 92.0 1.2 93.0 2.1 94.0 8.3 95.0 83.8 96.0 12.7 121.0 9.9 122.0 2.3 123.0 100.0 124.0 8.2 139.0 74.5 140.0 6.7
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H6 F N O 0.041 g : 0.5 ml DMSO-d6 m-fluorobenzamide 
Assign. Shift(ppm)
A *1 8.14 B 7.777 C 7.713 D *1 7.59 E 7.536 G 7.397
Hz ppm Int.3251.71 8.137 462 3112.55 7.789 847 3104.74 7.769 1000 3089.84 7.732 557 3088.26 7.728 577 3087.28 7.725 624 3085.69 7.721 487 3079.71 7.707 558 3078.13 7.703 605 3077.15 7.700 615 3075.56 7.696 499 3034.55 7.594 480 3022.95 7.564 491 3017.09 7.550 514 3014.89 7.544 784 3009.03 7.530 790 3006.96 7.524 540 3001.10 7.510 491 2965.58 7.421 386 2964.84 7.419 379 2962.89 7.414 368 2962.28 7.413 340 2956.79 7.399 642 2954.10 7.392 593 2948.61 7.378 311 2947.88 7.377 296 2945.92 7.372 294 2945.19 7.370 261
in DMSO-d6
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
