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(2R,5S,6S)-2-tert-Butyl-6-butyl-6-methyl-5-propyl-1,3-dioxan-4-one
SpectraBase Compound ID 28qWl14BJ4j
InChI InChI=1S/C16H30O3/c1-7-9-11-16(6)12(10-8-2)13(17)18-14(19-16)15(3,4)5/h12,14H,7-11H2,1-6H3/t12-,14+,16+/m1/s1
InChIKey NZOUZBMBFOMDJT-INWMFGNUSA-N
Mol Weight 270.41 g/mol
Molecular Formula C16H30O3
Exact Mass 270.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnkC6FfHSeM
Name (2R,5S,6S)-2-tert-Butyl-6-butyl-6-methyl-5-propyl-1,3-dioxan-4-one
CAS Registry Number 128973-62-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H30O3
InChI InChI=1S/C16H30O3/c1-7-9-11-16(6)12(10-8-2)13(17)18-14(19-16)15(3,4)5/h12,14H,7-11H2,1-6H3/t12-,14+,16+/m1/s1
InChIKey NZOUZBMBFOMDJT-INWMFGNUSA-N
Molecular Weight 270.413 g/mol
SMILES C1(O[C@](C(C)(C)C)(O[C@]([C@@]1(CCC)[H])(CCCC)C)[H])=O
SPLASH splash10-0006-9800000000-e0eef756bc15635c8f29
Source of Spectrum K-123-2436-14
Synonyms (2R,5S,6S)-6-butyl-2-tert-butyl-6-methyl-5-propyl-1,3-dioxan-4-one
Wiley ID 1274494