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(4S)-2,2-dimethyl-4-[(S)-oxidanyl(phenyl)methyl]-1,3-dioxan-5-one

View entire compound with spectra: 1 MS (GC)

(4S)-2,2-dimethyl-4-[(S)-oxidanyl(phenyl)methyl]-1,3-dioxan-5-one
SpectraBase Compound ID EQ4LG3rnbsa
InChI InChI=1S/C13H16O4/c1-13(2)16-8-10(14)12(17-13)11(15)9-6-4-3-5-7-9/h3-7,11-12,15H,8H2,1-2H3/t11-,12+/m0/s1
InChIKey BVOLYSKDQNVSPQ-NWDGAFQWSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9CMOaiYil7
Name (4S)-2,2-dimethyl-4-[(S)-oxidanyl(phenyl)methyl]-1,3-dioxan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-13(2)16-8-10(14)12(17-13)11(15)9-6-4-3-5-7-9/h3-7,11-12,15H,8H2,1-2H3/t11-,12+/m0/s1
InChIKey BVOLYSKDQNVSPQ-NWDGAFQWSA-N
Molecular Weight 236.267 g/mol
SMILES O[C@]([C@@]1(OC(C)(C)OCC1=O)[H])(c1ccccc1)[H]
SPLASH splash10-0a4i-9600000000-8eba4c6682dc94ff80b2
Source of Spectrum SO-0-1099-5
Synonyms (4S)-4-[(S)-hydroxy(phenyl)methyl]-2,2-dimethyl-1,3-dioxan-5-one
Wiley ID 874005