3,4-DIFLUOROBENZAMIDE(85118-04-3) 13C NMR
Product Name3,4-DIFLUOROBENZAMIDE
CAS85118-04-3
Molecular FormulaC7H5F2NO
Molecular Weight157.12
InChIInChI=1S/C7H5F2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)
InChIKey CMWOHNIHUBDEAG-UHFFFAOYSA-N
SmilesC(N)(=O)C1=CC=C(F)C(F)=C1
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MassMS-NW-9582 3,4-difluorobenzamide C7H5F2NO (Mass of molecular ion: 157)
Source Temperature: 150 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 1.0 44.0 6.0 50.0 1.5 57.0 1.1 61.0 1.1 62.0 2.8 63.0 13.5 65.0 3.4 68.0 1.6 74.0 1.4 75.0 1.2 81.0 1.1 88.0 1.1 93.0 2.2 94.0 1.1 101.0 1.1 112.0 2.4 113.0 63.5 114.0 6.8 140.0 1.0 141.0 100.0 142.0 7.7 157.0 84.6 158.0 7.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H5 F2 N O 0.060 g : 0.5 ml DMSO-d6 3,4-difluorobenzamide 
Assign. Shift(ppm)
A *1 8.14 B 7.951 C 7.819 D *1 7.62 E 7.552
Hz ppm Int.3254.64 8.144 600 3188.72 7.979 616 3186.52 7.974 647 3180.79 7.959 640 3178.71 7.954 712 3177.00 7.950 670 3174.80 7.944 676 3169.19 7.930 604 3166.99 7.925 645 3133.67 7.842 416 3132.32 7.838 476 3131.47 7.836 429 3130.13 7.833 431 3129.15 7.830 477 3127.81 7.827 508 3127.08 7.825 445 3125.61 7.821 524 3125.12 7.820 569 3123.66 7.816 568 3122.92 7.815 527 3121.46 7.811 515 3120.61 7.809 531 3119.14 7.805 547 3118.41 7.803 486 3117.07 7.800 397 3046.51 7.623 610 3031.49 7.586 712 3027.10 7.575 74 3023.19 7.565 1000 3020.87 7.559 742 3014.65 7.544 662 3012.70 7.539 974 3004.15 7.517 576
in DMSO-d6
KBr disc
nujol mull
