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3,7-Diacetoxy-3-phenyl-4-chromanone

View entire compound with spectra: 1 FTIR

3,7-Diacetoxy-3-phenyl-4-chromanone
SpectraBase Compound ID 2WwNNijYEsT
InChI InChI=1S/C19H16O6/c1-12(20)24-15-8-9-16-17(10-15)23-11-19(18(16)22,25-13(2)21)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKey BYPHPADGBNCATC-UHFFFAOYSA-N
Mol Weight 340.33 g/mol
Molecular Formula C19H16O6
Exact Mass 340.094688 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HzgRn6tmMjl
Name 3,7-Diacetoxy-3-phenyl-4-chromanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.094688229 u
Formula C19H16O6
InChI InChI=1S/C19H16O6/c1-12(20)24-15-8-9-16-17(10-15)23-11-19(18(16)22,25-13(2)21)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKey BYPHPADGBNCATC-UHFFFAOYSA-N
Molecular Weight 340.331 g/mol
SMILES C12=C(C(C(CO2)(C2=CC=CC=C2)OC(C)=O)=O)C=CC(=C1)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960508