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cis-5,5-Dimethyl-6-phenethyl-2-trichloromethyl-1,3-dioxan-4-one
SpectraBase Compound ID EeckvOAviSV
InChI InChI=1S/C15H17Cl3O3/c1-14(2)11(9-8-10-6-4-3-5-7-10)20-13(15(16,17)18)21-12(14)19/h3-7,11,13H,8-9H2,1-2H3/t11-,13-/m0/s1
InChIKey PTVPKPXTWKUDJF-AAEUAGOBSA-N
Mol Weight 351.66 g/mol
Molecular Formula C15H17Cl3O3
Exact Mass 350.024328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eDtUsvq73N
Name cis-5,5-Dimethyl-6-phenethyl-2-trichloromethyl-1,3-dioxan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17Cl3O3
InChI InChI=1S/C15H17Cl3O3/c1-14(2)11(9-8-10-6-4-3-5-7-10)20-13(15(16,17)18)21-12(14)19/h3-7,11,13H,8-9H2,1-2H3/t11-,13-/m0/s1
InChIKey PTVPKPXTWKUDJF-AAEUAGOBSA-N
Molecular Weight 351.657 g/mol
SMILES C1(C([C@](CCc2ccccc2)(O[C@@](O1)(C(Cl)(Cl)Cl)[H])[H])(C)C)=O
SPLASH splash10-0006-9800000000-49380dd06792be015ac4
Source of Spectrum AJ-63-1910-20
Synonyms (2S,6S)-5,5-dimethyl-6-(2-phenylethyl)-2-(trichloromethyl)-1,3-dioxan-4-one
Wiley ID 1341690