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3-Acetoxy-7-methoxy-3-phenyl-4-chromanone

View entire compound with spectra: 1 FTIR

3-Acetoxy-7-methoxy-3-phenyl-4-chromanone
SpectraBase Compound ID 7BYnT3jGDLO
InChI InChI=1S/C18H16O5/c1-12(19)23-18(13-6-4-3-5-7-13)11-22-16-10-14(21-2)8-9-15(16)17(18)20/h3-10H,11H2,1-2H3
InChIKey BGPNYGMRLYZAGT-UHFFFAOYSA-N
Mol Weight 312.32 g/mol
Molecular Formula C18H16O5
Exact Mass 312.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BonNlQtzWiF
Name 3-Acetoxy-7-methoxy-3-phenyl-4-chromanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.099773610 u
Formula C18H16O5
InChI InChI=1S/C18H16O5/c1-12(19)23-18(13-6-4-3-5-7-13)11-22-16-10-14(21-2)8-9-15(16)17(18)20/h3-10H,11H2,1-2H3
InChIKey BGPNYGMRLYZAGT-UHFFFAOYSA-N
SMILES C12=C(OCC(C2=O)(C2=CC=CC=C2)OC(C)=O)C=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961149