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SAD-431 / Adipic acid dME / Hexanedioic acid dME |
Names: Dimethyl hexanedioate; Hexanedioic acid dimethyl ester; Dimethyl adipate; Adipic acid dimethyl ester
Formula: C8H14O4
Molar mass: 174.196 Da
Monoisotopic mass: 174.089 Da
SMILES: COC(=O)CCCCC(=O)OC
InChI Key: UDSFAEKRVUSQDD-UHFFFAOYSA-N
InChI: 1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 13.639
Names: Hexanedioic acid; Adipic acid
Formula: C6H10O4
Molar mass: 146.143 Da
SMILES: OC(=O)CCCCC(O)=O
InChI Key: WNLRTRBMVRJNCN-UHFFFAOYSA-N
InChI: 1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
ChEBI code: CHEBI:30832
Lipid Maps code: LMFA01170048
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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. |