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OTH-210 / Fumaric acid dME / trans-Butenedioic acid dME |
Names: dimethyl (E)-but-2-enedioate; But-2-enedioic acid methyl ester
Formula: C6H8O4
Molar mass: 144.127 Da
Monoisotopic mass: 144.042 Da
SMILES: C(=C/C(=O)OC)\C(=O)OC
InChI Key: LDCRTTXIJACKKU-ONEGZZNKSA-N
InChI: 1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
Typical retention indexes:
- ECL on BPX70: 10.140
Name: But-2-enedioic acid
Formula: C4H4O4
Molar mass: 116.073 Da
SMILES: OC(=O)/C=C/C(O)=O
InChI Key: VZCYOOQTPOCHFL-OWOJBTEDSA-N
InChI: 1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
ChEBI code: CHEBI:22958
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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. |