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5-(12-Acetoxy-2-oxotridecyl)-1,3-phenylene diacetate

View entire compound with spectra: 1 NMR

5-(12-Acetoxy-2-oxotridecyl)-1,3-phenylene diacetate
SpectraBase Compound ID Gdr2SvSaxba
InChI InChI=1S/C25H36O7/c1-18(30-19(2)26)12-10-8-6-5-7-9-11-13-23(29)14-22-15-24(31-20(3)27)17-25(16-22)32-21(4)28/h15-18H,5-14H2,1-4H3
InChIKey SATUFZPHLZCAEV-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C25H36O7
Exact Mass 448.246103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYvs4kCSJML
Name 5-(12-Acetoxy-2-oxotridecyl)-1,3-phenylene diacetate
Comments Computed using HOSE algorithm
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Exact Mass 448.246103492 u
Formula C25H36O7
InChI InChI=1S/C25H36O7/c1-18(30-19(2)26)12-10-8-6-5-7-9-11-13-23(29)14-22-15-24(31-20(3)27)17-25(16-22)32-21(4)28/h15-18H,5-14H2,1-4H3
InChIKey SATUFZPHLZCAEV-UHFFFAOYSA-N
Molecular Weight 448.556 g/mol
SMILES C(C(CCCCCCCCCC(C)OC(=O)C)=O)C1=CC(=CC(=C1)OC(=O)C)OC(=O)C