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cis-5,5-dimethyl-6-phenyl-2-trichloromethyl-1,3-dioxan-4-one
SpectraBase Compound ID DMSIlR8LbIM
InChI InChI=1S/C13H13Cl3O3/c1-12(2)9(8-6-4-3-5-7-8)18-11(13(14,15)16)19-10(12)17/h3-7,9,11H,1-2H3/t9-,11-/m0/s1
InChIKey NUXBLNRTNNYACI-ONGXEEELSA-N
Mol Weight 323.6 g/mol
Molecular Formula C13H13Cl3O3
Exact Mass 321.993027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgGzzGaCERG
Name cis-5,5-dimethyl-6-phenyl-2-trichloromethyl-1,3-dioxan-4-one
Alternate Name(s) (2S,6S)-5,5-dimethyl-6-phenyl-2-(trichloromethyl)-1,3-dioxan-4-one
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Formula C13H13Cl3O3
InChI InChI=1S/C13H13Cl3O3/c1-12(2)9(8-6-4-3-5-7-8)18-11(13(14,15)16)19-10(12)17/h3-7,9,11H,1-2H3/t9-,11-/m0/s1
InChIKey NUXBLNRTNNYACI-ONGXEEELSA-N
Molecular Weight 323.603 g/mol
SMILES C1(C(O[C@](O[C@]1(c1ccccc1)[H])(C(Cl)(Cl)Cl)[H])=O)(C)C
SPLASH splash10-00di-9200000000-df366ede0119392551f7
Source of Spectrum AJ-63-1910-20
Wiley ID 1321315