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2,6-Ditert-butyl-4-methyl-4-(trichloromethyl)-1-cyclohexa-2,5-dienone

View entire compound with spectra: 1 MS (GC)

2,6-Ditert-butyl-4-methyl-4-(trichloromethyl)-1-cyclohexa-2,5-dienone
SpectraBase Compound ID LNwpbXng3Um
InChI InChI=1S/C16H23Cl3O/c1-13(2,3)10-8-15(7,16(17,18)19)9-11(12(10)20)14(4,5)6/h8-9H,1-7H3
InChIKey FVYLMOWGFRTHRM-UHFFFAOYSA-N
Mol Weight 337.72 g/mol
Molecular Formula C16H23Cl3O
Exact Mass 336.081448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESy5SXJShC3
Name 2,6-Ditert-butyl-4-methyl-4-(trichloromethyl)-1-cyclohexa-2,5-dienone
Alternate Name(s) 2,6-Ditert-butyl-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
CAS Registry Number 34959-62-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23Cl3O
InChI InChI=1S/C16H23Cl3O/c1-13(2,3)10-8-15(7,16(17,18)19)9-11(12(10)20)14(4,5)6/h8-9H,1-7H3
InChIKey FVYLMOWGFRTHRM-UHFFFAOYSA-N
Molecular Weight 337.718 g/mol
SMILES C=1(C(C(C(C)(C)C)=CC(C1)(C(Cl)(Cl)Cl)C)=O)C(C)(C)C
SPLASH splash10-0a4i-9011000000-accb99966b46a08bea62
Source of Spectrum F-43-510-0
Wiley ID 1332190