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Acetoxyacetic acid, undecyl ester
SpectraBase Compound ID KnEAPRYffsQ
InChI InChI=1S/C15H28O4/c1-3-4-5-6-7-8-9-10-11-12-18-15(17)13-19-14(2)16/h3-13H2,1-2H3
InChIKey RVTALEZSWHPHNZ-UHFFFAOYSA-N
Mol Weight 272.38 g/mol
Molecular Formula C15H28O4
Exact Mass 272.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6I9cXMgDRVC
Name Acetoxyacetic acid, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 272.198759378 u
Formula C15H28O4
InChI InChI=1S/C15H28O4/c1-3-4-5-6-7-8-9-10-11-12-18-15(17)13-19-14(2)16/h3-13H2,1-2H3
InChIKey RVTALEZSWHPHNZ-UHFFFAOYSA-N
SMILES CC(OCC(OCCCCCCCCCCC)=O)=O