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4'-Ethoxy-4-methoxy-2'-methylchalcone (isomer 2)
SpectraBase Compound ID 9pg3DRfR7SN
InChI InChI=1S/C19H20O3/c1-4-22-17-10-11-18(14(2)13-17)19(20)12-7-15-5-8-16(21-3)9-6-15/h5-13H,4H2,1-3H3/b12-7+
InChIKey KBYZKWRTCKKDOX-KPKJPENVSA-N
Mol Weight 296.37 g/mol
Molecular Formula C19H20O3
Exact Mass 296.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GzCtlCzKYWA
Name 4'-Ethoxy-4-methoxy-2'-methylchalcone (isomer 2)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.141244501 u
Formula C19H20O3
InChI InChI=1S/C19H20O3/c1-4-22-17-10-11-18(14(2)13-17)19(20)12-7-15-5-8-16(21-3)9-6-15/h5-13H,4H2,1-3H3/b12-7+
InChIKey KBYZKWRTCKKDOX-KPKJPENVSA-N
Molecular Weight 296.366 g/mol
SMILES C1(=C(C=C(C=C1)OCC)C)C(\C=C\C=1C=CC(OC)=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957794