Benzofuran-2-carboxylic acid(496-41-3) MS
Product NameBenzofuran-2-carboxylic acid
CAS496-41-3
Molecular FormulaC9H6O3
Molecular Weight162.14
InChIInChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
InChIKey OFFSPAZVIVZPHU-UHFFFAOYSA-N
SmilesO1C2=CC=CC=C2C=C1C(O)=O
-
MassMS-KW-0265 2-benzofurancarboxylic acid C9H6O3 (Mass of molecular ion: 162)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.3 28.0 2.8 37.0 1.5 38.0 2.6 39.0 9.1 43.0 2.3 44.0 3.6 44.5 5.0 45.0 3.3 50.0 3.3 51.0 4.0 52.0 1.0 53.0 1.3 58.5 1.0 61.0 2.5 62.0 7.9 63.0 16.3 64.0 3.0 67.0 4.0 72.5 1.2 77.0 3.2 78.0 9.6 86.0 1.8 87.0 2.0 88.0 2.1 89.0 28.9 90.0 11.0 105.0 2.5 106.0 1.5 118.0 7.1 134.0 6.9 145.0 38.1 146.0 3.9 162.0 100.0 163.0 10.0 164.0 1.1
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C9H6O3 0.039 g : 0.5 ml DMSO-d6 2-benzofurancarboxylic acid 
Assign. Shift(ppm)
A 13.6 B 7.830 C 7.741 D 7.720 E 7.535 F 7.388
Hz ppm Int.
in DMSO-d6
KBr disk
Nujol
