1,3-Phenylenediacetic acid(19806-17-8) IR1
Product Name1,3-Phenylenediacetic acid
CAS19806-17-8
Molecular FormulaC10H10O4
Molecular Weight194.18
InChIInChI=1S/C10H10O4/c11-9(12)5-7-2-1-3-8(4-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKey GDYYIJNDPMFMTB-UHFFFAOYSA-N
SmilesC1(CC(O)=O)=CC=CC(CC(O)=O)=C1
90 MHz in DMSO-d6
-
1H NMR 89.56 MHz C10 H10 O4 0.038 g : 0.5 ml DMSO-d6 m-phenylenediacetic acid 
Assign. Shift(ppm)
A 11. B 7.20 C 7.15 D 7.13 E 3.536
Hz ppm Int.649.07 7.248 93 644.37 7.195 294 641.13 7.159 524 637.62 7.120 143 633.44 7.073 61 632.07 7.058 38 631.38 7.050 42 316.85 3.538 1000
DMSO-d6
KBr disc
