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2,3-Diethoxy-1-phenylbicyclo[3.2.0]hept-2-en-7-one

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

2,3-Diethoxy-1-phenylbicyclo[3.2.0]hept-2-en-7-one
SpectraBase Compound ID E2uMDZLpUZP
InChI InChI=1S/C17H20O3/c1-3-19-14-10-13-11-15(18)17(13,16(14)20-4-2)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKey FOIKBSRRIHAJAT-UHFFFAOYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7SUHYM3bYgs
Name 2,3-Diethoxy-1-phenylbicyclo[3.2.0]hept-2-en-7-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.141244501 u
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-3-19-14-10-13-11-15(18)17(13,16(14)20-4-2)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKey FOIKBSRRIHAJAT-UHFFFAOYSA-N
SMILES C12(C(=C(OCC)CC2CC1=O)OCC)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972508