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2-(2-Oxocycyclohepta-3,4,5-trienyl)-1,2-dihydroinden-3-one

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

2-(2-Oxocycyclohepta-3,4,5-trienyl)-1,2-dihydroinden-3-one
SpectraBase Compound ID DGv7WdnPYKd
InChI InChI=1S/C16H12O2/c17-15-9-3-1-2-8-13(15)14-10-11-6-4-5-7-12(11)16(14)18/h1-9,14H,10H2
InChIKey YLBLIFDAYFKYGQ-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C16H12O2
Exact Mass 236.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Tj6LgbL9hw
Name 2-(2-Oxocycyclohepta-3,4,5-trienyl)-1,2-dihydroinden-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.083729624 u
Formula C16H12O2
InChI InChI=1S/C16H12O2/c17-15-9-3-1-2-8-13(15)14-10-11-6-4-5-7-12(11)16(14)18/h1-9,14H,10H2
InChIKey YLBLIFDAYFKYGQ-UHFFFAOYSA-N
Molecular Weight 236.270 g/mol
SMILES C1(C(C=2C=CC=CC2C1)=O)C=1C(C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96889