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4-Benzyl-2,2-dimethyl-5-hexen-3-one

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4-Benzyl-2,2-dimethyl-5-hexen-3-one
SpectraBase Compound ID 8G6qCYPTleq
InChI InChI=1S/C15H20O/c1-5-13(14(16)15(2,3)4)11-12-9-7-6-8-10-12/h5-10,13H,1,11H2,2-4H3
InChIKey ZDJSXOWPYHDLJW-UHFFFAOYSA-N
Mol Weight 216.32 g/mol
Molecular Formula C15H20O
Exact Mass 216.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9TlgP9i1Kyd
Name 4-Benzyl-2,2-dimethyl-5-hexen-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.151415263 u
Formula C15H20O
InChI InChI=1S/C15H20O/c1-5-13(14(16)15(2,3)4)11-12-9-7-6-8-10-12/h5-10,13H,1,11H2,2-4H3
InChIKey ZDJSXOWPYHDLJW-UHFFFAOYSA-N
Molecular Weight 216.324 g/mol
SMILES CC(C(C(C=C)CC=1C=CC=CC1)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955651