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3-(Benzoyloxy)propane-1,2-diyl dioctanoate

View entire compound with spectra: 1 NMR

3-(Benzoyloxy)propane-1,2-diyl dioctanoate
SpectraBase Compound ID 5fhKzMp5twb
InChI InChI=1S/C26H40O6/c1-3-5-7-9-14-18-24(27)30-20-23(32-25(28)19-15-10-8-6-4-2)21-31-26(29)22-16-12-11-13-17-22/h11-13,16-17,23H,3-10,14-15,18-21H2,1-2H3
InChIKey CAVVDWNDQLBBCW-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C26H40O6
Exact Mass 448.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Se7atUnbnp
Name 3-(Benzoyloxy)propane-1,2-diyl dioctanoate
Comments Computed using HOSE algorithm
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Exact Mass 448.282489002 u
Formula C26H40O6
InChI InChI=1S/C26H40O6/c1-3-5-7-9-14-18-24(27)30-20-23(32-25(28)19-15-10-8-6-4-2)21-31-26(29)22-16-12-11-13-17-22/h11-13,16-17,23H,3-10,14-15,18-21H2,1-2H3
InChIKey CAVVDWNDQLBBCW-UHFFFAOYSA-N
Molecular Weight 448.600 g/mol
SMILES C(C(COC(CCCCCCC)=O)OC(CCCCCCC)=O)OC(C1=CC=CC=C1)=O