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(2R,5S,6R)-2-tert-Butyl-5-ethyl-6-methyl-6-phenyl-1,3-dioxan-4-one
SpectraBase Compound ID ICyvEHwj0pU
InChI InChI=1S/C17H24O3/c1-6-13-14(18)19-15(16(2,3)4)20-17(13,5)12-10-8-7-9-11-12/h7-11,13,15H,6H2,1-5H3/t13-,15+,17+/m1/s1
InChIKey PYNZVDIAZXHEME-KMFMINBZSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TZnuqUjtJT
Name (2R,5S,6R)-2-tert-Butyl-5-ethyl-6-methyl-6-phenyl-1,3-dioxan-4-one
Alternate Name(s) (2R,5S,6R)-2-tert-butyl-5-ethyl-6-methyl-6-phenyl-1,3-diosan-4-one
CAS Registry Number 128999-65-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-6-13-14(18)19-15(16(2,3)4)20-17(13,5)12-10-8-7-9-11-12/h7-11,13,15H,6H2,1-5H3/t13-,15+,17+/m1/s1
InChIKey PYNZVDIAZXHEME-KMFMINBZSA-N
Molecular Weight 276.376 g/mol
SMILES [C@@]1(O[C@@](C(C)(C)C)(OC([C@]1(CC)[H])=O)[H])(c1ccccc1)C
SPLASH splash10-05fs-6900000000-f21d125e39cdb5dffffd
Source of Spectrum K-123-2436-12
Wiley ID 1280359