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5-Benzyl-2-tert-butyl-5-methyl-1,3-dioxan-4-one
SpectraBase Compound ID 7ayJNveYlnA
InChI InChI=1S/C16H22O3/c1-15(2,3)14-18-11-16(4,13(17)19-14)10-12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3
InChIKey VQSNQCQSOGEONI-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 Gw5KSjHZ8A2
Name 5-Benzyl-2-tert-butyl-5-methyl-1,3-dioxan-4-one
CAS Registry Number 120065-57-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-15(2,3)14-18-11-16(4,13(17)19-14)10-12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3
InChIKey VQSNQCQSOGEONI-UHFFFAOYSA-N
Molecular Weight 262.349 g/mol
SMILES c1(ccccc1)CC1(COC(C(C)(C)C)OC1=O)C
SPLASH splash10-053r-2910000000-85a2bbbd49a583114f34
Source of Spectrum H-71-1152-8
Synonyms 2-tert-Butyl-5-methyl-5-(phenylmethyl)-1,3-dioxan-4-one 5-Benzyl-2-t-butyl-5-methyl-[1,3]dioxan-4-one
Wiley ID 1266135