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2,6-Ditert-butyl-4-(4-chloroanilino)-4-methyl-cyclohexa-2,5-dien-1-one
SpectraBase Compound ID 4xh9MvJ5jBz
InChI InChI=1S/C21H28ClNO/c1-19(2,3)16-12-21(7,13-17(18(16)24)20(4,5)6)23-15-10-8-14(22)9-11-15/h8-13,23H,1-7H3
InChIKey YMLMYWHMKYHGOO-UHFFFAOYSA-N
Mol Weight 345.91 g/mol
Molecular Formula C21H28ClNO
Exact Mass 345.185942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Cjqx8c6tzK
Name 2,6-Ditert-butyl-4-(4-chloroanilino)-4-methyl-cyclohexa-2,5-dien-1-one
Alternate Name(s) 2,6-Di-tert-butyl-4-((4-chlorophenyl)amino)-4-methylcyclohexa-2,5-dien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28ClNO
InChI InChI=1S/C21H28ClNO/c1-19(2,3)16-12-21(7,13-17(18(16)24)20(4,5)6)23-15-10-8-14(22)9-11-15/h8-13,23H,1-7H3
InChIKey YMLMYWHMKYHGOO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201801175
Molecular Weight 345.914 g/mol
SMILES N(C1(C=C(C(C(=C1)C(C)(C)C)=O)C(C)(C)C)C)c1ccc(cc1)Cl
SPLASH splash10-016r-2962000000-9cd7fbfce6204b455443
Source of Spectrum ASC-361-SM4-6
Wiley ID 1813965