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2(R)-tert-Butyl-6(S)-butyl-6(S)-methyl-1,3-dioxan-4-one

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2(R)-tert-Butyl-6(S)-butyl-6(S)-methyl-1,3-dioxan-4-one
SpectraBase Compound ID ErUa9w1hGNU
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
InChIKey CQHPJDBLEUDMCO-UHFFFAOYSA-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 IYjufOfxvjk
Name 6-Butyl-2-tert-butyl-6-methyl-1,3-dioxan-4-one
Alternate Name(s) 1,3-Dioxan-4-one, 6-butyl-2-(1,1-dimethylethyl)-6-methyl-
CAS Registry Number 113505-76-3
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
InChIKey CQHPJDBLEUDMCO-UHFFFAOYSA-N
Molecular Weight 228.332 g/mol
SMILES CC1(OC(OC(C1)=O)C(C)(C)C)CCCC
SPLASH splash10-0a6u-9200000000-e992c90ae6691673e561
Wiley ID 1486107