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Isobavachalcone
SpectraBase Compound ID 1Zke4yQd8j3
InChI InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+
InChIKey DUWPGRAKHMEPCM-IZZDOVSWSA-N
Mol Weight 324.38 g/mol
Molecular Formula C20H20O4
Exact Mass 324.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5o6RGlJLmLP
Name Isobavachalcone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.136159120 u
Formula C20H20O4
InChI InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+
InChIKey DUWPGRAKHMEPCM-IZZDOVSWSA-N
Molecular Weight 324.376 g/mol
SMILES C1(O)=CC=C(\C=C\C(=O)C2=C(O)C(=C(O)C=C2)CC=C(C)C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864662