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(2R,5S,6R)-5-Benzyl-2-tert-butyl-6-methyl-1,3-dioxan-4-one
SpectraBase Compound ID GcEIEnF4jqJ
InChI InChI=1S/C16H22O3/c1-11-13(10-12-8-6-5-7-9-12)14(17)19-15(18-11)16(2,3)4/h5-9,11,13,15H,10H2,1-4H3/t11-,13+,15-/m1/s1
InChIKey KDBBQEHRROHBOQ-OSAQELSMSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E67LKMOrUAg
Name (2R,5S,6R)-5-Benzyl-2-tert-butyl-6-methyl-1,3-dioxan-4-one
CAS Registry Number 129287-76-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-11-13(10-12-8-6-5-7-9-12)14(17)19-15(18-11)16(2,3)4/h5-9,11,13,15H,10H2,1-4H3/t11-,13+,15-/m1/s1
InChIKey KDBBQEHRROHBOQ-OSAQELSMSA-N
Molecular Weight 262.349 g/mol
SMILES C1(O[C@@](O[C@@]([C@@]1(Cc1ccccc1)[H])(C)[H])(C(C)(C)C)[H])=O
SPLASH splash10-0a5c-3910000000-4c7b0da013f03821d39a
Source of Spectrum K-123-2426-41
Wiley ID 1266148