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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 Hq37meViPa9
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 CC(C)(C)C1OC(CC(O1)C(Cl)(Cl)Cl)=O
SPLASH splash10-0a4i-9200000000-5c1bbee166175ecdb11c
Synonyms 2-tert-Butyl-6-(trichloromethyl)-1,3-dioxan-4-one
Wiley ID 1485285