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(1'R,2R,5S,6R)-2-tert-butyl)-5-(1'-hydroxypentyl)-6-methyl-1,3-dioxan-4-on
SpectraBase Compound ID LFgBZtxJmDb
InChI InChI=1S/C14H26O4/c1-6-7-8-10(15)11-9(2)17-13(14(3,4)5)18-12(11)16/h9-11,13,15H,6-8H2,1-5H3/t9-,10-,11-,13-/m1/s1
InChIKey WPWCADQPMNREED-PRULPYPASA-N
Mol Weight 258.36 g/mol
Molecular Formula C14H26O4
Exact Mass 258.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DObZGRNHBk5
Name (1'R,2R,5S,6R)-2-tert-butyl)-5-(1'-hydroxypentyl)-6-methyl-1,3-dioxan-4-on
Alternate Name(s) (1'R,2R,5S,6R)-2-(t-butyl)-5-(1'-hydroxypentyl)-6-methyl-1,3-dioxan-4-one (2R,5S,6R)-2-tert-butyl-5-[(1R)-1-hydroxypentyl]-6-methyl-1,3-dioxan-4-one
CAS Registry Number 129287-37-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26O4
InChI InChI=1S/C14H26O4/c1-6-7-8-10(15)11-9(2)17-13(14(3,4)5)18-12(11)16/h9-11,13,15H,6-8H2,1-5H3/t9-,10-,11-,13-/m1/s1
InChIKey WPWCADQPMNREED-PRULPYPASA-N
Molecular Weight 258.358 g/mol
SMILES O[C@@]([C@@]1(C(O[C@](C(C)(C)C)(O[C@@]1(C)[H])[H])=O)[H])(CCCC)[H]
SPLASH splash10-014u-9000000000-0ec3aa1d2aaa7b6abcdd
Source of Spectrum K-123-2418-4
Wiley ID 1261733