4-acetamidobenzoic acid(556-08-1) 1H NMR
Product Name4-acetamidobenzoic acid
CAS556-08-1
Molecular FormulaC9H9NO3
Molecular Weight179.17
InChIInChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKey QCXJEYYXVJIFCE-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(NC(C)=O)C=C1
-
Assign. Shift(ppm)
A 12.7 B 10.3 C 7.916 D 7.724 E 2.107Spectral Code: 1H NMR : 400 MHz in DMSO-d6
-
ppm Int. Assign.
168.75 585 1 166.88 239 2 143.29 597 3 130.29 972 4 124.94 266 5 118.21 1000 6 24.07 478 7Spectral Code: 13C NMR : in DMSO-d6
-
Spectral Code: IR : KBr disc
-
Spectral Code: Raman : 4880 A,200 M,powder
