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4,5-Bis[(2,3-Dimethylbutoxy)methyl]-2-(4-phenylphenyl)-1,3-dioxalane

View entire compound with spectra: 1 MS (GC)

4,5-Bis[(2,3-Dimethylbutoxy)methyl]-2-(4-phenylphenyl)-1,3-dioxalane
SpectraBase Compound ID 2G6OH0ut02c
InChI InChI=1S/C29H42O4/c1-20(2)22(5)16-30-18-27-28(19-31-17-23(6)21(3)4)33-29(32-27)26-14-12-25(13-15-26)24-10-8-7-9-11-24/h7-15,20-23,27-29H,16-19H2,1-6H3/t22?,23?,27-,28-,29?/m0/s1
InChIKey KNVFZBRLINSLBA-VZGANZDCSA-N
Mol Weight 454.7 g/mol
Molecular Formula C29H42O4
Exact Mass 454.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bSJk6lHk7u
Name 4,5-Bis[(2,3-Dimethylbutoxy)methyl]-2-(4-phenylphenyl)-1,3-dioxalane
Alternate Name(s) (4S,5S)-2-Biphenyl-4-yl-4,5-bis-(2,3-dimethyl-butoxymethyl)-[1,3]dioxolane 2-[1,1'-biphenyl]-4-yl-4,5-bis[(2,3-dimethylbutoxy)methyl]-1,3-dioxolane
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Formula C29H42O4
InChI InChI=1S/C29H42O4/c1-20(2)22(5)16-30-18-27-28(19-31-17-23(6)21(3)4)33-29(32-27)26-14-12-25(13-15-26)24-10-8-7-9-11-24/h7-15,20-23,27-29H,16-19H2,1-6H3/t22?,23?,27-,28-,29?/m0/s1
InChIKey KNVFZBRLINSLBA-VZGANZDCSA-N
Molecular Weight 454.651 g/mol
SMILES C1(O[C@@](COCC(C(C)C)C)([C@@](O1)(COCC(C(C)C)C)[H])[H])c1ccc(cc1)-c1ccccc1
SPLASH splash10-014r-3119000000-02dae59b6affc2863533
Source of Spectrum J-59-8194-3
Wiley ID 1388882