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SDA-443 / Glutaric acid dME / Pentanedioic acid dME

Names: Dimethyl pentanedioate;  Pentanedioic acid dimethyl ester;  Glutaric acid dimethyl ester

Formula: C7H12O4

Molar mass: 160.169 Da

Monoisotopic mass: 160.074 Da

SMILES: C(CC(=O)OC)CC(=O)OC

InChI Key: XTDYIOOONNVFMA-UHFFFAOYSA-N

InChI: 1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 12.337

Non-derivatized:

Names: Pentanedioic acid;  Glutaric acid

Formula: C5H8O4

Molar mass: 132.116 Da

SMILES: OC(=O)CCCC(O)=O

InChI Key: JFCQEDHGNNZCLN-UHFFFAOYSA-N

InChI: 1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)

ChEBI code: CHEBI:17859

Lipid Maps code: LMFA01170046



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.