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SAN-321 / 7:0 / 7:0

Names: Methyl heptanoate;  Heptanoic acid methyl ester;  Enanthic acid methyl ester;  Methyl enanthate

Formula: C8H16O2

Molar mass: 144.213 Da

Monoisotopic mass: 144.115 Da

SMILES: CCCCCCC(=O)OC

InChI Key: XNCNNDVCAUWAIT-UHFFFAOYSA-N

InChI: 1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 7.000

Non-derivatized:

Names: Heptanoic acid;  Enanthic acid

Formula: C7H14O2

Molar mass: 130.186 Da

SMILES: CCCCCCC(O)=O

InChI Key: MNWFXJYAOYHMED-UHFFFAOYSA-N

InChI: 1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)

ChEBI code: CHEBI:45571

Lipid Maps code: LMFA01010007



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.