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6-Ethyl-7-hydroxy-4-phenyl-2H-1-benzopyran-2-one, acetate

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

6-Ethyl-7-hydroxy-4-phenyl-2H-1-benzopyran-2-one, acetate
SpectraBase Compound ID 2uAvVLmh6DU
InChI InChI=1S/C19H16O4/c1-3-13-9-16-15(14-7-5-4-6-8-14)10-19(21)23-18(16)11-17(13)22-12(2)20/h4-11H,3H2,1-2H3
InChIKey MRBFCYUYTNYZJH-UHFFFAOYSA-N
Mol Weight 308.33 g/mol
Molecular Formula C19H16O4
Exact Mass 308.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9vVmcS53o9E
Name 6-Ethyl-7-hydroxy-4-phenyl-2H-1-benzopyran-2-one, acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.104858991 u
Formula C19H16O4
InChI InChI=1S/C19H16O4/c1-3-13-9-16-15(14-7-5-4-6-8-14)10-19(21)23-18(16)11-17(13)22-12(2)20/h4-11H,3H2,1-2H3
InChIKey MRBFCYUYTNYZJH-UHFFFAOYSA-N
SMILES C1=2OC(C=C(C2C=C(C(=C1)OC(C)=O)CC)C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937494