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(2R,5R,6R)-2-tert-butyl-5-[(1S)-1-hydroxypropyl]-6-methyl-1,3-dioxan-4-one

View entire compound with spectra: 1 MS (GC)

(2R,5R,6R)-2-tert-butyl-5-[(1S)-1-hydroxypropyl]-6-methyl-1,3-dioxan-4-one
SpectraBase Compound ID GNFOLOs4QuC
InChI InChI=1S/C12H22O4/c1-6-8(13)9-7(2)15-11(12(3,4)5)16-10(9)14/h7-9,11,13H,6H2,1-5H3/t7-,8+,9+,11-/m1/s1
InChIKey UKTBYMMQHISTJJ-UYAYMFIHSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbnrWbgml6x
Name (2R,5R,6R)-2-tert-butyl-5-[(1S)-1-hydroxypropyl]-6-methyl-1,3-dioxan-4-one
CAS Registry Number 129287-33-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-6-8(13)9-7(2)15-11(12(3,4)5)16-10(9)14/h7-9,11,13H,6H2,1-5H3/t7-,8+,9+,11-/m1/s1
InChIKey UKTBYMMQHISTJJ-UYAYMFIHSA-N
Molecular Weight 230.304 g/mol
SMILES O[C@]([C@]1(C(O[C@](C(C)(C)C)(O[C@@]1(C)[H])[H])=O)[H])(CC)[H]
SPLASH splash10-033c-9220000000-d048e3b0cba7b03cd163
Source of Spectrum K-123-2418-2
Synonyms (2R,5R,6R)-2-tert-butyl-6-methyl-5-[(1S)-1-oxidanylpropyl]-1,3-dioxan-4-one
Wiley ID 1231657