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(2R,5S)-2-tert-butyl-5-methyl-1,3-dioxan-4-one
SpectraBase Compound ID 7OLwxir7uAD
InChI InChI=1S/C9H16O3/c1-6-5-11-8(9(2,3)4)12-7(6)10/h6,8H,5H2,1-4H3/t6-,8+/m0/s1
InChIKey IDAKACQLSWKCND-POYBYMJQSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FpraufaUFTo
Name (2R,5S)-2-tert-butyl-5-methyl-1,3-dioxan-4-one
CAS Registry Number 120065-56-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-6-5-11-8(9(2,3)4)12-7(6)10/h6,8H,5H2,1-4H3/t6-,8+/m0/s1
InChIKey IDAKACQLSWKCND-POYBYMJQSA-N
Molecular Weight 172.224 g/mol
SMILES C1(O[C@@](OC[C@@]1(C)[H])(C(C)(C)C)[H])=O
SPLASH splash10-066r-9100000000-ba69472a6be4ff849dd5
Source of Spectrum H-71-1151-2
Wiley ID 1168759