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5,6-Dimethyl-5-[4'-(benzyloxycarbonyl)benzyl]-2-(t-butyl)-1,3-dioxan-4-one
SpectraBase Compound ID 7G9wH1jVNOk
InChI InChI=1S/C25H30O5/c1-17-25(5,22(27)30-23(29-17)24(2,3)4)15-18-11-13-20(14-12-18)21(26)28-16-19-9-7-6-8-10-19/h6-14,17,23H,15-16H2,1-5H3
InChIKey JHBDVHLHPUBYOC-UHFFFAOYSA-N
Mol Weight 410.51 g/mol
Molecular Formula C25H30O5
Exact Mass 410.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KebyMRjrg2X
Name 5,6-Dimethyl-5-[4'-(benzyloxycarbonyl)benzyl]-2-(t-butyl)-1,3-dioxan-4-one
Alternate Name(s) benzyl 4-[(2-tert-butyl-4,5-dimethyl-6-oxo-1,3-dioxan-5-yl)methyl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30O5
InChI InChI=1S/C25H30O5/c1-17-25(5,22(27)30-23(29-17)24(2,3)4)15-18-11-13-20(14-12-18)21(26)28-16-19-9-7-6-8-10-19/h6-14,17,23H,15-16H2,1-5H3
InChIKey JHBDVHLHPUBYOC-UHFFFAOYSA-N
Molecular Weight 410.510 g/mol
SMILES C1(OC(C(C(O1)=O)(Cc1ccc(cc1)C(=O)OCc1ccccc1)C)C)C(C)(C)C
SPLASH splash10-006x-9645000000-ca5a405a268bc11ade74
Source of Spectrum E2-47-21-18
Wiley ID 1520288