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(1'R,2R,5S,6R)-5-(1'-Acetoxy-2',2'-dimethylpropyl)-2-(t-butyl)-6-methyl-1,3-dioxan-4-one
SpectraBase Compound ID KctOLSU1AMi
InChI InChI=1S/C16H28O5/c1-9-11(12(15(3,4)5)20-10(2)17)13(18)21-14(19-9)16(6,7)8/h9,11-12,14H,1-8H3/t9-,11+,12-,14-/m1/s1
InChIKey NPLPFPZGYOHKDE-RFVSLCSESA-N
Mol Weight 300.4 g/mol
Molecular Formula C16H28O5
Exact Mass 300.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hd2rPI7trvW
Name (1'R,2R,5S,6R)-5-(1'-Acetoxy-2',2'-dimethylpropyl)-2-(t-butyl)-6-methyl-1,3-dioxan-4-one
Alternate Name(s) (1R)-1-[(2R,4R,5S)-2-tert-butyl-4-methyl-6-oxo-1,3-dioxan-5-yl]-2,2-dimethylpropyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O5
InChI InChI=1S/C16H28O5/c1-9-11(12(15(3,4)5)20-10(2)17)13(18)21-14(19-9)16(6,7)8/h9,11-12,14H,1-8H3/t9-,11+,12-,14-/m1/s1
InChIKey NPLPFPZGYOHKDE-RFVSLCSESA-N
Molecular Weight 300.395 g/mol
SMILES C1([C@]([C@@](OC(=O)C)(C(C)(C)C)[H])([C@@](C)(O[C@](O1)(C(C)(C)C)[H])[H])[H])=O
SPLASH splash10-052f-9620000000-6c500c4e147a53203176
Source of Spectrum H-76-469-4
Wiley ID 1302813