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Diglycolic acid, butyl heptyl ester
SpectraBase Compound ID 5U4TGHaquHR
InChI InChI=1S/C15H28O5/c1-3-5-7-8-9-11-20-15(17)13-18-12-14(16)19-10-6-4-2/h3-13H2,1-2H3
InChIKey KREGXZUEYFINIZ-UHFFFAOYSA-N
Mol Weight 288.38 g/mol
Molecular Formula C15H28O5
Exact Mass 288.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GFqX5iCaC4h
Name Diglycolic acid, butyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 288.193673997 u
Formula C15H28O5
InChI InChI=1S/C15H28O5/c1-3-5-7-8-9-11-20-15(17)13-18-12-14(16)19-10-6-4-2/h3-13H2,1-2H3
InChIKey KREGXZUEYFINIZ-UHFFFAOYSA-N
SMILES C(COCC(=O)OCCCC)(=O)OCCCCCCC