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1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-6-methyl-6-phenyl-, (2R-trans)-
SpectraBase Compound ID 9JXoPN3rsB9
InChI InChI=1S/C15H20O3/c1-14(2,3)13-17-12(16)10-15(4,18-13)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3/t13-,15+/m0/s1
InChIKey JHJDPYVKEDLDML-DZGCQCFKSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VenGta0i6C
Name 1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-6-methyl-6-phenyl-, (2R-trans)-
Alternate Name(s) (2R,6R)-2-tert-butyl-6-methyl-6-phenyl-1,3-dioxan-4-one
CAS Registry Number 114885-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-14(2,3)13-17-12(16)10-15(4,18-13)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3/t13-,15+/m0/s1
InChIKey JHJDPYVKEDLDML-DZGCQCFKSA-N
Molecular Weight 248.322 g/mol
SMILES [C@@]1(O[C@@](C(C)(C)C)(OC(C1)=O)[H])(c1ccccc1)C
SPLASH splash10-014l-5900000000-d276cde17ac76d4a99c1
Source of Spectrum C-110-4771-5
Wiley ID 1251334