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2-Furoic acid, dodecyl ester
SpectraBase Compound ID 82TFlGK44uo
InChI InChI=1S/C17H28O3/c1-2-3-4-5-6-7-8-9-10-11-14-20-17(18)16-13-12-15-19-16/h12-13,15H,2-11,14H2,1H3
InChIKey FHBOZFVNLPVNGS-UHFFFAOYSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1W0VZr5A2PU
Name 2-Furoic acid, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 280.203844759 u
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-2-3-4-5-6-7-8-9-10-11-14-20-17(18)16-13-12-15-19-16/h12-13,15H,2-11,14H2,1H3
InChIKey FHBOZFVNLPVNGS-UHFFFAOYSA-N
SMILES C(=O)(OCCCCCCCCCCCC)C=1OC=CC1