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4'-(Neopentyl)oxychalcone

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4'-(Neopentyl)oxychalcone
SpectraBase Compound ID LhEwHfj5DwN
InChI InChI=1S/C20H22O2/c1-20(2,3)15-22-18-12-10-17(11-13-18)19(21)14-9-16-7-5-4-6-8-16/h4-14H,15H2,1-3H3/b14-9+
InChIKey GWSSIRXYBKYFFM-NTEUORMPSA-N
Mol Weight 294.39 g/mol
Molecular Formula C20H22O2
Exact Mass 294.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BnjRE4qLdAZ
Name 4'-(Neopentyl)oxychalcone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.161979946 u
Formula C20H22O2
InChI InChI=1S/C20H22O2/c1-20(2,3)15-22-18-12-10-17(11-13-18)19(21)14-9-16-7-5-4-6-8-16/h4-14H,15H2,1-3H3/b14-9+
InChIKey GWSSIRXYBKYFFM-NTEUORMPSA-N
SMILES C1(=CC=C(C=C1)OCC(C)(C)C)C(\C=C\C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969699