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1-[(2S,5R)-5-(2-keto-3,3-dimethyl-butyl)-1,4-dioxan-2-yl]-3,3-dimethyl-butan-2-one
SpectraBase Compound ID L192hq3Emis
InChI InChI=1S/C16H28O4/c1-15(2,3)13(17)7-11-9-20-12(10-19-11)8-14(18)16(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12+
InChIKey QWMVMSAXOWAVCA-TXEJJXNPSA-N
Mol Weight 284.4 g/mol
Molecular Formula C16H28O4
Exact Mass 284.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnbKlqr2Hcx
Name 1-[(2S,5R)-5-(2-keto-3,3-dimethyl-butyl)-1,4-dioxan-2-yl]-3,3-dimethyl-butan-2-one
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Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-15(2,3)13(17)7-11-9-20-12(10-19-11)8-14(18)16(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12+
InChIKey QWMVMSAXOWAVCA-TXEJJXNPSA-N
Molecular Weight 284.396 g/mol
SMILES C(C[C@]1(OC[C@](CC(C(C)(C)C)=O)(OC1)[H])[H])(C(C)(C)C)=O
SPLASH splash10-056u-9900000000-8ef25dcf88c0df11db65
Source of Spectrum F-68-4245-15
Synonyms 1-[(2S,5R)-5-(3,3-dimethyl-2-oxidanylidene-butyl)-1,4-dioxan-2-yl]-3,3-dimethyl-butan-2-one 1-[(2S,5R)-5-(3,3-dimethyl-2-oxo-butyl)-1,4-dioxan-2-yl]-3,3-dimethyl-butan-2-one 1-[(2S,5R)-5-(3,3-dimethyl-2-oxobutyl)-1,4-dioxan-2-yl]-3,3-dimethyl-2-butanone
Wiley ID 1572535