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(1'S,2R,5S,6R)-5-(1'-Acetoxy-2'-methylpropyl)-2-(t-butyl)-6-methyl-1,3-dioxan-4-one
SpectraBase Compound ID Iu231W259SJ
InChI InChI=1S/C15H26O5/c1-8(2)12(19-10(4)16)11-9(3)18-14(15(5,6)7)20-13(11)17/h8-9,11-12,14H,1-7H3/t9-,11+,12+,14-/m1/s1
InChIKey PCOUIJFLZDAEMJ-GASQSECBSA-N
Mol Weight 286.37 g/mol
Molecular Formula C15H26O5
Exact Mass 286.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9pMIWwa4hyR
Name (1'S,2R,5S,6R)-5-(1'-Acetoxy-2'-methylpropyl)-2-(t-butyl)-6-methyl-1,3-dioxan-4-one
Alternate Name(s) (1S)-1-[(2R,4R,5S)-2-tert-butyl-4-methyl-6-oxo-1,3-dioxan-5-yl]-2-methylpropyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O5
InChI InChI=1S/C15H26O5/c1-8(2)12(19-10(4)16)11-9(3)18-14(15(5,6)7)20-13(11)17/h8-9,11-12,14H,1-7H3/t9-,11+,12+,14-/m1/s1
InChIKey PCOUIJFLZDAEMJ-GASQSECBSA-N
Molecular Weight 286.368 g/mol
SMILES C1([C@]([C@@](OC(=O)C)(C(C)C)[H])([C@@](C)(O[C@](O1)(C(C)(C)C)[H])[H])[H])=O
SPLASH splash10-0006-9720000000-38936a8c36c8ead31e41
Source of Spectrum H-76-468-2
Wiley ID 1289723