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5-Methyl-1-phenylbicyclo[3.2.2.]non-3-en-2-one

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

5-Methyl-1-phenylbicyclo[3.2.2.]non-3-en-2-one
SpectraBase Compound ID FwjBgfKu1uE
InChI InChI=1S/C16H18O/c1-15-8-7-14(17)16(11-9-15,12-10-15)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKey LMJMEUMPAMMZLF-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C16H18O
Exact Mass 226.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ghjei2qs4EA
Name 5-Methyl-1-phenylbicyclo[3.2.2.]non-3-en-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.135765199 u
Formula C16H18O
InChI InChI=1S/C16H18O/c1-15-8-7-14(17)16(11-9-15,12-10-15)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKey LMJMEUMPAMMZLF-UHFFFAOYSA-N
Molecular Weight 226.319 g/mol
SMILES C12(C(C=CC(CC2)(C)CC1)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933535