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5-(3,4-dimethylphenyl)-2,2,4,5-tetramethyl-3-hexanone

View entire compound with spectra: 1 MS (GC)

5-(3,4-dimethylphenyl)-2,2,4,5-tetramethyl-3-hexanone
SpectraBase Compound ID EcbJKNPO9bt
InChI InChI=1S/C18H28O/c1-12-9-10-15(11-13(12)2)18(7,8)14(3)16(19)17(4,5)6/h9-11,14H,1-8H3
InChIKey UNTGECNWJPJXGG-UHFFFAOYSA-N
Mol Weight 260.42 g/mol
Molecular Formula C18H28O
Exact Mass 260.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUbSs1KT0B3
Name 5-(3,4-dimethylphenyl)-2,2,4,5-tetramethyl-3-hexanone
CAS Registry Number 127514-00-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O
InChI InChI=1S/C18H28O/c1-12-9-10-15(11-13(12)2)18(7,8)14(3)16(19)17(4,5)6/h9-11,14H,1-8H3
InChIKey UNTGECNWJPJXGG-UHFFFAOYSA-N
Molecular Weight 260.421 g/mol
SMILES C(C(C(C(C)(C)C)=O)C)(c1cc(C)c(cc1)C)(C)C
SPLASH splash10-0002-2900000000-7620084696f1c343f728
Source of Spectrum H-72-1551-69
Synonyms 5-(3,4-dimethylphenyl)-2,2,4,5-tetramethyl-hexan-3-one
Wiley ID 1264301