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Adipic acid, 4-heptyl propyl ester
SpectraBase Compound ID 4EVJNvgXJGr
InChI InChI=1S/C16H30O4/c1-4-9-14(10-5-2)20-16(18)12-8-7-11-15(17)19-13-6-3/h14H,4-13H2,1-3H3
InChIKey UDVJHMLJOIIKNP-UHFFFAOYSA-N
Mol Weight 286.41 g/mol
Molecular Formula C16H30O4
Exact Mass 286.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6bGvM0wWu5L
Name Adipic acid, 4-heptyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 286.214409442 u
Formula C16H30O4
InChI InChI=1S/C16H30O4/c1-4-9-14(10-5-2)20-16(18)12-8-7-11-15(17)19-13-6-3/h14H,4-13H2,1-3H3
InChIKey UDVJHMLJOIIKNP-UHFFFAOYSA-N
SMILES C(CCC(OC(CCC)CCC)=O)CC(OCCC)=O