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2,2,5-Trimethyl-1-phenylhexa-3,4-dien-1-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

2,2,5-Trimethyl-1-phenylhexa-3,4-dien-1-one
SpectraBase Compound ID 2P9gR9kLbzu
InChI InChI=1S/C15H18O/c1-12(2)10-11-15(3,4)14(16)13-8-6-5-7-9-13/h5-9,11H,1-4H3
InChIKey GHIVBMIKUZPSJU-UHFFFAOYSA-N
Mol Weight 214.31 g/mol
Molecular Formula C15H18O
Exact Mass 214.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GwPaBKAMS0P
Name 2,2,5-Trimethyl-1-phenylhexa-3,4-dien-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.135765199 u
Formula C15H18O
InChI InChI=1S/C15H18O/c1-12(2)10-11-15(3,4)14(16)13-8-6-5-7-9-13/h5-9,11H,1-4H3
InChIKey GHIVBMIKUZPSJU-UHFFFAOYSA-N
Molecular Weight 214.308 g/mol
SMILES C(=O)(C1=CC=CC=C1)C(C)(C=C=C(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882459