3,5-Difluoroaniline(372-39-4) 13C NMR
Product Name3,5-Difluoroaniline
CAS372-39-4
Molecular FormulaC6H5F2N
Molecular Weight129.11
InChIInChI=1S/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKey KQOIBXZRCYFZSO-UHFFFAOYSA-N
SmilesC1(N)=CC(F)=CC(F)=C1
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MassMS-NW-7528 3,5-difluoroaniline C6H5F2N (Mass of molecular ion: 129)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
28.0 5.2 31.0 4.4 37.0 1.6 38.0 2.2 39.0 1.3 41.0 1.6 50.0 2.3 51.0 4.7 52.0 4.0 56.0 1.8 57.0 5.5 61.0 1.8 62.0 3.2 63.0 4.0 64.0 1.1 64.5 5.0 65.0 1.5 70.0 1.5 75.0 3.6 76.0 1.9 78.0 1.2 81.0 4.4 82.0 11.7 83.0 3.5 89.0 2.3 98.0 2.4 99.0 1.1 100.0 1.4 101.0 26.3 102.0 32.8 103.0 2.2 108.0 3.1 109.0 7.3 110.0 1.2 112.0 1.3 128.0 5.4 129.0 100.0 130.0 7.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H5 F2 N 0.039 g : 0.5 ml CDCl3 3,5-difluoroaniline 
Assign. Shift(ppm)
A 6.17 B 6.15 C 3.87
Hz ppm Int.2480.71 6.208 177 2478.64 6.203 367 2476.32 6.197 272 2470.83 6.183 303 2469.73 6.180 624 2467.41 6.174 706 2463.62 6.165 875 2462.52 6.162 611 2461.55 6.160 998 2460.57 6.157 507 2459.72 6.155 434 2457.89 6.151 413 2456.18 6.146 424 2454.35 6.142 1000 2453.37 6.139 459 2452.15 6.136 428 2450.07 6.131 151 2447.88 6.126 103 2445.92 6.121 54 2444.70 6.118 68 1544.80 3.866 203
in CDCl3
KBr disc
nujol mull
