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OTH-217 / DMP / Phthalic acid, dME |
Names: dimethyl benzene-1,2-dicarboxylate; phthalic acid methyl ester
Formula: C10H10O4
Molar mass: 194.187 Da
Monoisotopic mass: 194.058 Da
SMILES: COC(=O)c1ccccc1C(=O)OC
InChI Key: NIQCNGHVCWTJSM-UHFFFAOYSA-N
InChI: 1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
Typical retention indexes:
- ECL on Wax: 16.835
- KI on Wax: 2302
Name: phthalic acid
Formula: C8H6O4
Molar mass: 166.133 Da
SMILES: OC(=O)c1ccccc1C(O)=O
InChI Key: XNGIFLGASWRNHJ-UHFFFAOYSA-N
InChI: 1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
ChEBI code: CHEBI:29069
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Data are acquired on Agilent 5972, 5973 and 5975 instruments at Nofima, Institute of Marine Research and University of Bergen. Molecular structures are created in Open Babel. |