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Succinic acid, 3-heptyl pentyl ester
SpectraBase Compound ID GhfAXXlHsK6
InChI InChI=1S/C16H30O4/c1-4-7-9-13-19-15(17)11-12-16(18)20-14(6-3)10-8-5-2/h14H,4-13H2,1-3H3
InChIKey QJWRGCJFDUNCLR-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 21OMdOteZX4
Name Succinic acid, 3-heptyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 286.214409442 u
Formula C16H30O4
InChI InChI=1S/C16H30O4/c1-4-7-9-13-19-15(17)11-12-16(18)20-14(6-3)10-8-5-2/h14H,4-13H2,1-3H3
InChIKey QJWRGCJFDUNCLR-UHFFFAOYSA-N
SMILES C(C(OC(CC)CCCC)=O)CC(OCCCCC)=O