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5-o-Methylgenistein diacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

5-o-Methylgenistein diacetate
SpectraBase Compound ID CokTCq17cJa
InChI InChI=1S/C20H16O7/c1-11(21)26-14-6-4-13(5-7-14)16-10-25-18-9-15(27-12(2)22)8-17(24-3)19(18)20(16)23/h4-10H,1-3H3
InChIKey BTDZTSQJLRJDTG-UHFFFAOYSA-N
Mol Weight 368.34 g/mol
Molecular Formula C20H16O7
Exact Mass 368.089603 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L64GmNaPio3
Name 5-o-Methylgenistein diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.089602848 u
Formula C20H16O7
InChI InChI=1S/C20H16O7/c1-11(21)26-14-6-4-13(5-7-14)16-10-25-18-9-15(27-12(2)22)8-17(24-3)19(18)20(16)23/h4-10H,1-3H3
InChIKey BTDZTSQJLRJDTG-UHFFFAOYSA-N
Molecular Weight 368.341 g/mol
SMILES C12=C(C=C(C=C2OC)OC(=O)C)OC=C(C1=O)C1=CC=C(OC(=O)C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900049