TRANS-ACONITIC ACID TRIMETHYL ESTER(4271-99-2) 1H NMR
Molecular FormulaC9H12O6
Molecular Weight216.19
InChIInChI=1S/C9H12O6/c1-13-7(10)4-6(9(12)15-3)5-8(11)14-2/h4H,5H2,1-3H3/b6-4+
InChIKey DZAIBGWGBBQGPZ-GQCTYLIASA-N
SmilesC(/C(OC)=O)=C(\C(OC)=O)/CC(OC)=O