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2-Ethoxy-2-methyl-4-phenyl-3,4-dihydro-2H-pyrano-[3,2-C]-chromen-5-one
SpectraBase Compound ID KMz5nH9ZRqN
InChI InChI=1S/C21H20O4/c1-3-23-21(2)13-16(14-9-5-4-6-10-14)18-19(25-21)15-11-7-8-12-17(15)24-20(18)22/h4-12,16H,3,13H2,1-2H3
InChIKey XKNIYTUONYSFMJ-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C21H20O4
Exact Mass 336.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID zzGv6iOBTF
Name 2-Ethoxy-2-methyl-4-phenyl-3,4-dihydro-2H-pyrano-[3,2-C]-chromen-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.136159120 u
Formula C21H20O4
InChI InChI=1S/C21H20O4/c1-3-23-21(2)13-16(14-9-5-4-6-10-14)18-19(25-21)15-11-7-8-12-17(15)24-20(18)22/h4-12,16H,3,13H2,1-2H3
InChIKey XKNIYTUONYSFMJ-UHFFFAOYSA-N
Molecular Weight 336.387 g/mol
SMILES C1(=O)C=2C(CC(C)(OCC)OC2C=2C(O1)=CC=CC2)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910311