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(4E)-2,2-dimethyl-6-phenyl-4-hexen-3-one
SpectraBase Compound ID 9RbIGFNCYga
InChI InChI=1S/C14H18O/c1-14(2,3)13(15)11-7-10-12-8-5-4-6-9-12/h4-9,11H,10H2,1-3H3/b11-7+
InChIKey NXBXKFXMNLPRHG-YRNVUSSQSA-N
Mol Weight 202.3 g/mol
Molecular Formula C14H18O
Exact Mass 202.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BDF2hNmQZgg
Name (4E)-2,2-Dimethyl-6-phenyl-4-hexen-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 202.135765199 u
Formula C14H18O
InChI InChI=1S/C14H18O/c1-14(2,3)13(15)11-7-10-12-8-5-4-6-9-12/h4-9,11H,10H2,1-3H3/b11-7+
InChIKey NXBXKFXMNLPRHG-YRNVUSSQSA-N
Molecular Weight 202.297 g/mol
SMILES C(C(C)(C)C)(\C=C\CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900179