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3,3-Dimethyl-1-(4-methylanilino)-2-butanone
SpectraBase Compound ID 9vPPxaALI4N
InChI InChI=1S/C13H19NO/c1-10-5-7-11(8-6-10)14-9-12(15)13(2,3)4/h5-8,14H,9H2,1-4H3
InChIKey UKXYDOCQNZRWBI-UHFFFAOYSA-N
Mol Weight 205.3 g/mol
Molecular Formula C13H19NO
Exact Mass 205.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gdMSDCFz3N
Name 3,3-dimethyl-1-(4-methylanilino)-2-butanone
CAS Registry Number 123528-98-3
Comments Removed - expert review: contamination (CDCl3); A corrected record has been addded having SpectrumID: 1821335
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO
InChI InChI=1S/C13H19NO/c1-10-5-7-11(8-6-10)14-9-12(15)13(2,3)4/h5-8,14H,9H2,1-4H3
InChIKey UKXYDOCQNZRWBI-UHFFFAOYSA-N
Molecular Weight 205.301 g/mol
SMILES N(CC(C(C)(C)C)=O)c1ccc(cc1)C
SPLASH splash10-0006-9200000000-3e880bc88413799a01c9
Source of Spectrum F-45-2948-2
Synonyms 3,3-dimethyl-1-(4-methylanilino)butan-2-one 3,3-dimethyl-1-(p-toluidino)butan-2-one 3,3-dimethyl-1-[(4-methylphenyl)amino]butan-2-one
Wiley ID 1203563