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1,3-Dioxan-4-one, 6-butyl-2-(1,1-dimethylethyl)-6-methyl-, (2R-trans)-
SpectraBase Compound ID Jdvf1EFyBGn
InChI InChI=1S/C13H24O3/c1-6-7-8-13(5)9-10(14)15-11(16-13)12(2,3)4/h11H,6-9H2,1-5H3/t11-,13-/m0/s1
InChIKey CQHPJDBLEUDMCO-AAEUAGOBSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsnisRokfri
Name 1,3-Dioxan-4-one, 6-butyl-2-(1,1-dimethylethyl)-6-methyl-, (2R-trans)-
Alternate Name(s) (2R,6S)-2-tert-butyl-6-butyl-6-methyl-1,3-dioxan-4-one (2R,6S)-6-butyl-2-tert-butyl-6-methyl-1,3-dioxan-4-one
CAS Registry Number 107289-22-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-6-7-8-13(5)9-10(14)15-11(16-13)12(2,3)4/h11H,6-9H2,1-5H3/t11-,13-/m0/s1
InChIKey CQHPJDBLEUDMCO-AAEUAGOBSA-N
Molecular Weight 228.332 g/mol
SMILES [C@]1(OC(C[C@@](O1)(CCCC)C)=O)(C(C)(C)C)[H]
SPLASH splash10-0a6u-9300000000-771996398ea51cac00e5
Source of Spectrum C-110-4771-5
Wiley ID 1229761