4-Amino-3-methylbenzoic acid(2486-70-6) IR1
Product Name4-Amino-3-methylbenzoic acid
CAS2486-70-6
Molecular FormulaC8H9NO2
Molecular Weight151.16
InChIInChI=1S/C8H9NO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,9H2,1H3,(H,10,11)
InChIKey NHFKECPTBZZFBC-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(N)C(C)=C1
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C8 H9 N O2 0.040 g : 0.5 ml DMSO-d6 4-amino-3-methylbenzoic acid 
Assign. Shift(ppm)
A 7.571 B 7.548 C 6.624 D 5.64 E 2.089
Hz ppm Int.3026.49 7.573 174 3025.51 7.571 227 3021.73 7.561 154 3019.78 7.557 84 3013.43 7.541 132 3011.47 7.536 105 2651.25 6.634 231 2643.07 6.614 223 2252.81 5.637 42 835.08 2.090 1000
in DMSO-d6
KBr disc
nujol mull
