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2,4-Pentanedione, 3,3-bis(4-methylphenyl)-
SpectraBase Compound ID Icxy4m74szN
InChI InChI=1S/C19H20O2/c1-13-5-9-17(10-6-13)19(15(3)20,16(4)21)18-11-7-14(2)8-12-18/h5-12H,1-4H3
InChIKey RMNYEHFKWUCQQZ-UHFFFAOYSA-N
Mol Weight 280.37 g/mol
Molecular Formula C19H20O2
Exact Mass 280.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AwYCREhq6v8
Name 2,4-Pentanedione, 3,3-bis(4-methylphenyl)-
Alternate Name(s) 3,3-bis(4-methylphenyl)-2,4-pentanedione 3,3-bis(p-tolyl)pentane-2,4-dione
CAS Registry Number 72969-12-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O2
InChI InChI=1S/C19H20O2/c1-13-5-9-17(10-6-13)19(15(3)20,16(4)21)18-11-7-14(2)8-12-18/h5-12H,1-4H3
InChIKey RMNYEHFKWUCQQZ-UHFFFAOYSA-N
Molecular Weight 280.367 g/mol
SMILES C(C(=O)C)(C(=O)C)(c1ccc(cc1)C)c1ccc(cc1)C
SPLASH splash10-000i-0290000000-fd04ec0378c34106925e
Source of Spectrum B-32-1565-0
Wiley ID 1284384