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Phthalic acid, 5-ethyl-1,3-dioxan-5-yl undecyl ester
SpectraBase Compound ID cB5RA7TK6A
InChI InChI=1S/C26H40O6/c1-3-5-6-7-8-9-10-11-14-17-31-24(27)22-15-12-13-16-23(22)25(28)32-20-26(4-2)18-29-21-30-19-26/h12-13,15-16H,3-11,14,17-21H2,1-2H3
InChIKey RHZWBSDIJYPVAE-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 1938ppHjX9D
Name Phthalic acid, 5-ethyl-1,3-dioxan-5-yl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 448.282489002 u
Formula C26H40O6
InChI InChI=1S/C26H40O6/c1-3-5-6-7-8-9-10-11-14-17-31-24(27)22-15-12-13-16-23(22)25(28)32-20-26(4-2)18-29-21-30-19-26/h12-13,15-16H,3-11,14,17-21H2,1-2H3
InChIKey RHZWBSDIJYPVAE-UHFFFAOYSA-N
Molecular Weight 448.600 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCCC)=O)C(OCC1(CC)COCOC1)=O