4-(Methylamino)benzoic acid(10541-83-0) MS
Product Name4-(Methylamino)benzoic acid
CAS10541-83-0
Molecular FormulaC8H9NO2
Molecular Weight151.16
InChIInChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKey ZVIDMSBTYRSMAR-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(NC)C=C1
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MassMS-NW-2416 p-(methylamino)benzoic acid C8H9NO2 (Mass of molecular ion: 151)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 1.5 17.0 1.1 18.0 5.4 27.0 2.4 28.0 5.0 30.0 4.5 37.0 1.7 38.0 3.7 39.0 9.1 40.0 1.1 41.0 1.9 42.0 2.9 45.0 2.3 50.0 6.3 51.0 6.8 51.5 1.0 52.0 3.8 52.5 2.6 53.0 2.5 54.0 1.3 54.5 1.0 55.0 1.1 61.0 1.2 61.5 3.4 62.0 2.7 63.0 6.4 64.0 4.8 65.0 21.6 66.0 2.8 66.5 2.8 67.0 1.1 74.0 3.1 75.0 3.0 76.0 3.3 77.0 16.1 78.0 6.5 79.0 12.0 80.0 1.9 81.0 1.4 90.0 1.7 91.0 3.4 92.0 9.3 93.0 1.4 104.0 4.9 105.0 4.2 106.0 14.3 107.0 1.8 108.0 1.9 118.0 1.2 120.0 22.3 121.0 3.0 122.0 1.2 132.0 1.6 134.0 45.2 135.0 4.3 137.0 22.5 138.0 1.8 148.0 3.4 149.0 2.1 150.0 52.0 151.0 100.0 152.0 9.1 164.0 15.6 165.0 15.0 166.0 1.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H9 N O2 0.037 g : 0.5 ml DMSO-d6 p-(methylamino)benzoic acid 
Assign. Shift(ppm)
A 12.03 B 7.715 C 6.551 D 6.45 E 2.729 J(D,E)=4.6HZ
Hz ppm Int.4808.48 12.032 98 3097.16 7.750 22 3096.61 7.749 22 3088.00 7.727 820 3086.17 7.723 297 3081.04 7.710 288 3079.21 7.705 884 3076.83 7.699 123 2635.58 6.595 22 2622.39 6.562 851 2620.56 6.558 317 2615.43 6.545 275 2613.42 6.540 783 2611.04 6.534 120 2593.09 6.489 21 2592.72 6.488 22 2581.92 6.461 142 2577.34 6.449 140 1092.95 2.735 979 1088.38 2.724 1000
in DMSO-d6
KBr disc
nujol mull
