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5'-Acetyl-7,2',4'-triisopropoxyisoflavone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

5'-Acetyl-7,2',4'-triisopropoxyisoflavone
SpectraBase Compound ID 5X4bD0Ej6PF
InChI InChI=1S/C26H30O6/c1-14(2)30-18-8-9-19-23(10-18)29-13-22(26(19)28)21-11-20(17(7)27)24(31-15(3)4)12-25(21)32-16(5)6/h8-16H,1-7H3
InChIKey DOTNRKVKCKCUGS-UHFFFAOYSA-N
Mol Weight 438.52 g/mol
Molecular Formula C26H30O6
Exact Mass 438.204239 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID zJGCTfPBJy
Name 5'-Acetyl-7,2',4'-triisopropoxyisoflavone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.204238680 u
Formula C26H30O6
InChI InChI=1S/C26H30O6/c1-14(2)30-18-8-9-19-23(10-18)29-13-22(26(19)28)21-11-20(17(7)27)24(31-15(3)4)12-25(21)32-16(5)6/h8-16H,1-7H3
InChIKey DOTNRKVKCKCUGS-UHFFFAOYSA-N
Molecular Weight 438.520 g/mol
SMILES C1=C(C(=O)C=2C=CC(=CC2O1)OC(C)C)C=1C(=CC(=C(C1)C(=O)C)OC(C)C)OC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898404