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5-Benzyl-2-tert-butyl-6-methyl-1,3-dioxan-4-one
SpectraBase Compound ID 6IfvKRIeEBc
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
InChIKey KDBBQEHRROHBOQ-UHFFFAOYSA-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 7l8NTJIwhJQ
Name 5-Benzyl-2-tert-butyl-6-methyl-1,3-dioxan-4-one
CAS Registry Number 107289-11-2
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
InChIKey KDBBQEHRROHBOQ-UHFFFAOYSA-N
Molecular Weight 262.349 g/mol
SMILES c1cc(ccc1)CC1C(OC(OC1C)C(C)(C)C)=O
SPLASH splash10-053u-2900000000-e1e0e7f115f9ff22aeb6
Source of Spectrum H-71-1153-14
Synonyms 2-tert-Butyl-6-methyl-5-(phenylmethyl)-1,3-dioxan-4-one 5-Benzyl-2-t-butyl-6-methyl-[1,3]dioxan-4-one
Wiley ID 1266137