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4-(7-(4-Acetoxy-3-methoxyphenyl)-5-oxoheptyl)phenyl acetate

View entire compound with spectra: 1 NMR

4-(7-(4-Acetoxy-3-methoxyphenyl)-5-oxoheptyl)phenyl acetate
SpectraBase Compound ID AL3PtSBiwJ6
InChI InChI=1S/C24H28O6/c1-17(25)29-22-13-9-19(10-14-22)6-4-5-7-21(27)12-8-20-11-15-23(30-18(2)26)24(16-20)28-3/h9-11,13-16H,4-8,12H2,1-3H3
InChIKey PPHOGIREQCGZJY-UHFFFAOYSA-N
Mol Weight 412.48 g/mol
Molecular Formula C24H28O6
Exact Mass 412.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KgNk3v0IChI
Name 4-(7-(4-Acetoxy-3-methoxyphenyl)-5-oxoheptyl)phenyl acetate
Comments Computed using HOSE algorithm
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Exact Mass 412.188588616 u
Formula C24H28O6
InChI InChI=1S/C24H28O6/c1-17(25)29-22-13-9-19(10-14-22)6-4-5-7-21(27)12-8-20-11-15-23(30-18(2)26)24(16-20)28-3/h9-11,13-16H,4-8,12H2,1-3H3
InChIKey PPHOGIREQCGZJY-UHFFFAOYSA-N
Molecular Weight 412.482 g/mol
SMILES C(CC(CCCCC1=CC=C(C=C1)OC(C)=O)=O)C1=CC(=C(C=C1)OC(=O)C)OC