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5-(3,4-dimethoxyphenyl)-2-phenylcyclohexanone, hemihydrate

View entire compound with spectra: 1 FTIR, and 1 UV-Vis

5-(3,4-dimethoxyphenyl)-2-phenylcyclohexanone, hemihydrate
SpectraBase Compound ID 1Em6uqtWhq2
InChI InChI=1S/2C20H22O3.H2O/c2*1-22-19-11-9-16(13-20(19)23-2)15-8-10-17(18(21)12-15)14-6-4-3-5-7-14;/h2*3-7,9,11,13,15,17H,8,10,12H2,1-2H3;1H2
InChIKey ZERDYFBXRVKBCI-UHFFFAOYSA-N
Mol Weight 319.401 g/mol
Molecular Formula C20H22O3·½H2O
Exact Mass 319.162177 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6I6TxAgSBsV
Name 5-(3,4-DIMETHOXYPHENYL)-2-PHENYLCYCLOHEXANONE, HEMIHYDRATE
Source of Sample Ames & Davey, Tropical Products Institute, London, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H46O7
InChI InChI=1S/2C20H22O3.H2O/c2*1-22-19-11-9-16(13-20(19)23-2)15-8-10-17(18(21)12-15)14-6-4-3-5-7-14;/h2*3-7,9,11,13,15,17H,8,10,12H2,1-2H3;1H2
InChIKey ZERDYFBXRVKBCI-UHFFFAOYSA-N
Melting Point 109C
Molecular Weight 638.801025
Synonyms CYCLOHEXANONE, 5-/3,4-DIMETHOXY- PHENYL/-2-PHENYL-, HEMIHYDRATE
Technique KBr WAFER