4-Aminobenzoic acid(150-13-0) ESR
Product Name4-Aminobenzoic acid
CAS150-13-0
Molecular FormulaC7H7NO2
Molecular Weight137.14
InChIInChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey ALYNCZNDIQEVRV-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(N)C=C1
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MassMS-NW-0228 p-aminobenzoic acid C7H7NO2 (Mass of molecular ion: 137)
Source Temperature: 180 °C Sample Temperature: 0 °C Direct, 75 eV
26.0 1.3 27.0 1.9 28.0 4.5 37.0 3.5 38.0 8.3 39.0 17.8 40.0 2.4 41.0 5.9 42.0 1.3 45.0 4.3 45.5 1.6 46.0 2.3 50.0 3.9 51.0 3.3 52.0 7.1 53.0 2.4 54.0 2.1 54.5 4.0 60.0 1.5 61.0 3.1 62.0 5.7 63.0 11.3 64.0 6.5 65.0 36.9 66.0 6.0 74.0 1.8 75.0 1.1 80.0 2.6 81.0 2.1 90.0 2.3 91.0 4.4 92.0 39.2 93.0 4.8 108.0 2.7 109.0 2.0 120.0 100.0 121.0 8.5 137.0 93.0 138.0 7.3
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H7 N O2 0.032 g : 0.5 ml DMSO-d6 p-aminobenzoic acid 
Assign. Shift(ppm)
A 12.0 B 7.650 C 6.573 D 5.89
Hz ppm Int.4796.03 12.001 29 3064.38 7.668 121 3061.81 7.662 922 3059.98 7.657 314 3057.78 7.652 67 3055.03 7.645 291 3053.20 7.640 1000 3050.82 7.634 131 2633.93 6.591 127 2631.37 6.585 957 2629.54 6.580 318 2624.59 6.568 282 2622.76 6.563 949 2620.20 6.557 126 2352.59 5.887 125
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1H NMR 89.56 MHz C7 H7 N O2 0.039 g : 0.5 ml DMSO-d6 p-aminobenzoic acid Assign. Shift(ppm)
A 12. B 7.648 C 6.577 D 5.9 J(B,C)=8.8HZ
Hz ppm Int.692.48 7.733 97 690.00 7.705 800 688.04 7.683 279 685.47 7.654 80 683.25 7.629 281 681.29 7.608 1000 678.81 7.580 175 595.84 6.653 126 593.44 6.627 957 591.48 6.605 305 588.66 6.573 84 586.61 6.550 260 584.64 6.528 833 582.25 6.502 148 579.60 6.472 60 578.06 6.455 43 524.15 5.853 65
KBr disc
nujol mull
4880 A,200 M,powder
OXIDATION WITH PERBENZOIC ACID IN DIOXANE
OXIDATION WITH PBA IN ETHANOL
