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1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-6-(trichloromethyl)-, (2s-cis)-
SpectraBase Compound ID LnLapiCnhYA
InChI InChI=1S/C9H13Cl3O3/c1-8(2,3)7-14-5(9(10,11)12)4-6(13)15-7/h5,7H,4H2,1-3H3
InChIKey IJUASKRRJABREP-UHFFFAOYSA-N
Mol Weight 275.56 g/mol
Molecular Formula C9H13Cl3O3
Exact Mass 273.993027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ciQ4xHXzWH
Name 1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-6-(trichloromethyl)-, (2s-cis)-
CAS Registry Number 139883-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13Cl3O3
InChI InChI=1S/C9H13Cl3O3/c1-8(2,3)7-14-5(9(10,11)12)4-6(13)15-7/h5,7H,4H2,1-3H3
InChIKey IJUASKRRJABREP-UHFFFAOYSA-N
Molecular Weight 275.559 g/mol
SMILES C1(OC(CC(O1)=O)C(Cl)(Cl)Cl)C(C)(C)C
SPLASH splash10-0ab9-9520000000-c3c2f59309f579716e77
Source of Spectrum E2-45-380-2
Synonyms 2-tert-Butyl-6-(trichloromethyl)-1,3-dioxan-4-one
Wiley ID 1517467