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ethyl 2-benzoyl-4-(1,4-dioxan-2-yl)-3-(4-methoxyphenyl)butanoate
SpectraBase Compound ID 8lKTbhZ8kyj
InChI InChI=1S/C24H28O6/c1-3-29-24(26)22(23(25)18-7-5-4-6-8-18)21(15-20-16-28-13-14-30-20)17-9-11-19(27-2)12-10-17/h4-12,20-22H,3,13-16H2,1-2H3
InChIKey LEGGNQPGXSKMRZ-UHFFFAOYSA-N
Mol Weight 412.48 g/mol
Molecular Formula C24H28O6
Exact Mass 412.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IlzG88CuTnj
Name ethyl 2-benzoyl-4-(1,4-dioxan-2-yl)-3-(4-methoxyphenyl)butanoate
Appearance Pale yellow oily liquid
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Formula C24H28O6
InChI InChI=1S/C24H28O6/c1-3-29-24(26)22(23(25)18-7-5-4-6-8-18)21(15-20-16-28-13-14-30-20)17-9-11-19(27-2)12-10-17/h4-12,20-22H,3,13-16H2,1-2H3
InChIKey LEGGNQPGXSKMRZ-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 412.482 g/mol
Reported Formula C24H29O6
SMILES C1(CC(C(C(=O)c2ccccc2)C(=O)OCC)c2ccc(cc2)OC)COCCO1
SPLASH splash10-0a4i-0921000000-06e97bc848d603814778
Sample Comments dr = 1.2:1
Source of Spectrum CN108640839A
Wiley ID 1872460