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(2R,5R,6R)-2-t-butyl-5-benzyl-5-ethyl-6-methyl-1,3-dioxan-4-one
SpectraBase Compound ID D42ZBkixd0w
InChI InChI=1S/C18H26O3/c1-6-18(12-14-10-8-7-9-11-14)13(2)20-16(17(3,4)5)21-15(18)19/h7-11,13,16H,6,12H2,1-5H3/t13-,16-,18-/m1/s1
InChIKey PZYKQLRUFWZRHG-MZMPZRCHSA-N
Mol Weight 290.4 g/mol
Molecular Formula C18H26O3
Exact Mass 290.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdMGRjNp05F
Name (2R,5R,6R)-2-t-butyl-5-benzyl-5-ethyl-6-methyl-1,3-dioxan-4-one
CAS Registry Number 134528-93-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O3
InChI InChI=1S/C18H26O3/c1-6-18(12-14-10-8-7-9-11-14)13(2)20-16(17(3,4)5)21-15(18)19/h7-11,13,16H,6,12H2,1-5H3/t13-,16-,18-/m1/s1
InChIKey PZYKQLRUFWZRHG-MZMPZRCHSA-N
Molecular Weight 290.403 g/mol
SMILES [C@]1(C(O[C@@](O[C@@]1(C)[H])(C(C)(C)C)[H])=O)(Cc1ccccc1)CC
SPLASH splash10-0536-5920000000-61fa7054ac11236ad6a5
Source of Spectrum K-124-1841-13
Synonyms (2R,5R,6R)-5-benzyl-2-tert-butyl-5-ethyl-6-methyl-1,3-dioxan-4-one
Wiley ID 1293910