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1,3-Propanedione, 1,3-bis(4-methylphenyl)-
SpectraBase Compound ID LH3CY7yMEUZ
InChI InChI=1S/C17H16O2/c1-12-3-7-14(8-4-12)16(18)11-17(19)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
InChIKey XKFZOWRFWMXGQG-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C17H16O2
Exact Mass 252.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5anALUvrCND
Name 1,3-Bis(4-methylphenyl)-1,3-propanedione
CAS Registry Number 3594-36-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O2
InChI InChI=1S/C17H16O2/c1-12-3-7-14(8-4-12)16(18)11-17(19)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
InChIKey XKFZOWRFWMXGQG-UHFFFAOYSA-N
Molecular Weight 252.313 g/mol
SMILES Cc1ccc(cc1)C(=O)CC(=O)c1ccc(cc1)C
SPLASH splash10-0uxr-6690000000-5c861b8c79a7a50b19ad
Synonyms 1,3-bis(4-methylphenyl)propane-1,3-dione 1,3-bis(p-tolyl)propane-1,3-dione 1,3-Di-(4-methylphenyl)-1,3-propanedione 1,3-Propanedione, 1,3-bis(4-methylphenyl)-
Wiley ID 1492932