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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 9SKqzs2Q8XN
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 CC(C1OC(C(C(O1)C)Cc1ccccc1)=O)(C)C
SPLASH splash10-0a7l-6900000000-7a46db33f389318790ed
Source of Spectrum CM-1999-15177-0
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 477531