For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(4S,5S)-5-(1,3-Benzodioxol-5-yl)-2,4-diphenylcyclohexane-1,3-dione
SpectraBase Compound ID 83Mk7IZa8dn
InChI InChI=1S/C25H20O4/c26-20-14-19(18-11-12-21-22(13-18)29-15-28-21)23(16-7-3-1-4-8-16)25(27)24(20)17-9-5-2-6-10-17/h1-13,19,23-24H,14-15H2/t19-,23-,24?/m1/s1
InChIKey LFTDICZJEKBCAG-NXJLTJBGSA-N
Mol Weight 384.43 g/mol
Molecular Formula C25H20O4
Exact Mass 384.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7guoRknKjZs
Name (4S,5S)-5-(1,3-Benzodioxol-5-yl)-2,4-diphenylcyclohexane-1,3-dione
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20O4
InChI InChI=1S/C25H20O4/c26-20-14-19(18-11-12-21-22(13-18)29-15-28-21)23(16-7-3-1-4-8-16)25(27)24(20)17-9-5-2-6-10-17/h1-13,19,23-24H,14-15H2/t19-,23-,24?/m1/s1
InChIKey LFTDICZJEKBCAG-NXJLTJBGSA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.b26
Molecular Weight 384.431 g/mol
SMILES C1C(=O)C(C(=O)[C@@]([C@]1(c1cc2c(cc1)OCO2)[H])(c1ccccc1)[H])c1ccccc1
SPLASH splash10-0udi-0920000000-3dd08189448d3940027d
Source of Spectrum ARK-2010-340-13
Wiley ID 1869969