3-(Dimethylamino)benzoic acid(99-64-9) IR2
Product Name3-(Dimethylamino)benzoic acid
CAS99-64-9
Molecular FormulaC9H11NO2
Molecular Weight165.19
InChIInChI=1S/C9H11NO2/c1-10(2)8-5-3-4-7(6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKey NEGFNJRAUMCZMY-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=CC(N(C)C)=C1
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MassMS-NW-3810 m-(dimethylamino)benzoic acid C9H11NO2 (Mass of molecular ion: 165)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.6 27.0 1.2 28.0 1.0 38.0 1.1 39.0 3.8 42.0 7.4 43.0 1.0 44.0 3.1 45.0 1.1 50.0 3.5 51.0 4.0 52.0 1.5 59.5 1.1 63.0 3.2 64.0 1.1 65.0 5.9 73.5 3.3 74.0 1.8 75.0 1.7 76.0 1.9 77.0 7.7 78.0 3.3 79.0 3.0 82.5 2.0 90.0 1.0 91.0 2.9 92.0 1.6 93.0 1.5 103.0 1.4 104.0 3.9 105.0 2.8 118.0 5.3 119.0 2.2 120.0 3.4 121.0 2.7 132.0 1.0 148.0 5.9 149.0 5.9 150.0 1.7 164.0 100.0 165.0 87.4 166.0 9.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H11 N O2 0.040 g : 0.5 ml DMSO-d6 m-(dimethylamino)benzoic acid 
Assign. Shift(ppm)
A 7.30 B 7.28 C 7.27 D 6.957 E 2.936
Hz ppm Int.2925.17 7.320 24 2917.85 7.302 72 2910.16 7.282 178 2908.45 7.278 140 2902.59 7.263 23 2901.12 7.260 26 2786.74 6.973 30 2784.30 6.967 40 2782.23 6.962 29 2779.30 6.955 28 2777.59 6.951 28 2776.37 6.948 31 2774.78 6.944 27 1173.58 2.937 1000
CCl4 solution
KBr disc
nujol mull
