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(2R,5S,6S)-2-tert-Butyl-6-butyl-5,6-dimethyl-1,3-dioxan-4-one
SpectraBase Compound ID 5CsS7EZw88H
InChI InChI=1S/C14H26O3/c1-7-8-9-14(6)10(2)11(15)16-12(17-14)13(3,4)5/h10,12H,7-9H2,1-6H3/t10-,12+,14+/m1/s1
InChIKey ATUSHZBCMGKZLL-OSMZGAPFSA-N
Mol Weight 242.36 g/mol
Molecular Formula C14H26O3
Exact Mass 242.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ffsugsds4xt
Name (2R,5S,6S)-2-tert-Butyl-6-butyl-5,6-dimethyl-1,3-dioxan-4-one
Alternate Name(s) (2R,5S,6S)-6-butyl-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-one
CAS Registry Number 128973-57-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26O3
InChI InChI=1S/C14H26O3/c1-7-8-9-14(6)10(2)11(15)16-12(17-14)13(3,4)5/h10,12H,7-9H2,1-6H3/t10-,12+,14+/m1/s1
InChIKey ATUSHZBCMGKZLL-OSMZGAPFSA-N
Molecular Weight 242.359 g/mol
SMILES C1(O[C@](C(C)(C)C)(O[C@]([C@@]1(C)[H])(CCCC)C)[H])=O
SPLASH splash10-06r6-9300000000-53342a3f1b9edb8a0aae
Source of Spectrum K-123-2435-0
Wiley ID 1245194