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RACEMIC_1,6-DIPHENYL-3,4-DIBENZOYL-1,6-BUTANEDIONE
SpectraBase Compound ID Lxg3SC5TCZv
InChI InChI=1S/C32H26O4/c33-29(23-13-5-1-6-14-23)21-27(31(35)25-17-9-3-10-18-25)28(32(36)26-19-11-4-12-20-26)22-30(34)24-15-7-2-8-16-24/h1-20,27-28H,21-22H2/t27-,28+
InChIKey GKIGXCWKUDRFCY-HNRBIFIRSA-N
Mol Weight 474.6 g/mol
Molecular Formula C32H26O4
Exact Mass 474.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzagFzm4c2r
Name (3R,4S)-1,6-diphenyl-3,4-bis(phenylcarbonyl)hexane-1,6-dione
Alternate Name(s) (3R,4S)-3,4-dibenzoyl-1,6-diphenyl-hexane-1,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H26O4
InChI InChI=1S/C32H26O4/c33-29(23-13-5-1-6-14-23)21-27(31(35)25-17-9-3-10-18-25)28(32(36)26-19-11-4-12-20-26)22-30(34)24-15-7-2-8-16-24/h1-20,27-28H,21-22H2/t27-,28+
InChIKey GKIGXCWKUDRFCY-HNRBIFIRSA-N
Molecular Weight 474.556 g/mol
SMILES [C@]([C@@](C(=O)c1ccccc1)(CC(=O)c1ccccc1)[H])(C(=O)c1ccccc1)(CC(=O)c1ccccc1)[H]
SPLASH splash10-0a4i-3902100000-ae096dbce50975e93d3f
Source of Spectrum J-58-7687-3
Wiley ID 1394045