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3,4-bis(phenylcarbonyl)hexane-2,5-dione
SpectraBase Compound ID 6qTZ5II94Cb
InChI InChI=1S/C20H18O4/c1-13(21)17(19(23)15-9-5-3-6-10-15)18(14(2)22)20(24)16-11-7-4-8-12-16/h3-12,17-18H,1-2H3
InChIKey IIHNJBVVXUOWFC-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C20H18O4
Exact Mass 322.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3sXa5zA7qdM
Name 3,4-bis(phenylcarbonyl)hexane-2,5-dione
Alternate Name(s) 3,4-Dibenzoylhexane-2,5-dione
CAS Registry Number 51439-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-13(21)17(19(23)15-9-5-3-6-10-15)18(14(2)22)20(24)16-11-7-4-8-12-16/h3-12,17-18H,1-2H3
InChIKey IIHNJBVVXUOWFC-UHFFFAOYSA-N
Molecular Weight 322.360 g/mol
SMILES C(C(C(=O)c1ccccc1)C(=O)C)(C(=O)c1ccccc1)C(=O)C
SPLASH splash10-0ue9-0069000000-7524de6ee038e3e5e0ae
Source of Spectrum SK-27-334-10
Wiley ID 867604