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3,7-Dimethyl-3,6-octadienophenone

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

3,7-Dimethyl-3,6-octadienophenone
SpectraBase Compound ID BOZAJDdK1ZF
InChI InChI=1S/C16H20O/c1-13(2)8-7-9-14(3)12-16(17)15-10-5-4-6-11-15/h4-6,8-11H,7,12H2,1-3H3/b14-9+
InChIKey ZXOYIUYDOZLJSP-NTEUORMPSA-N
Mol Weight 228.33 g/mol
Molecular Formula C16H20O
Exact Mass 228.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CwWpwhO3lCo
Name 3,7-Dimethyl-3,6-octadienophenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.151415263 u
Formula C16H20O
InChI InChI=1S/C16H20O/c1-13(2)8-7-9-14(3)12-16(17)15-10-5-4-6-11-15/h4-6,8-11H,7,12H2,1-3H3/b14-9+
InChIKey ZXOYIUYDOZLJSP-NTEUORMPSA-N
Molecular Weight 228.335 g/mol
SMILES C(C\C(=C\CC=C(C)C)C)(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927805