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SDA-176 / Methyl succinate / Butanedioic acid dME

Names: Dimethyl butanedioate;  Butanedioic acid dimethyl ester;  Dimethyl succinate

Formula: C6H10O4

Molar mass: 146.143 Da

Monoisotopic mass: 146.058 Da

SMILES: COC(=O)CCC(=O)OC

InChI Key: MUXOBHXGJLMRAB-UHFFFAOYSA-N

InChI: 1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 10.939

Non-derivatized:

Names: Butanedioic acid;  Succinic acid

Formula: C4H6O4

Molar mass: 118.089 Da

SMILES: OC(=O)CCC(O)=O

InChI Key: KDYFGRWQOYBRFD-UHFFFAOYSA-N

InChI: 1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)

ChEBI code: CHEBI:15741

Lipid Maps code: LMFA01170043



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.