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2-(2,4,6-Cycloheptatrienylidene)-1,3-indandione

View entire compound with spectra: 1 FTIR

2-(2,4,6-Cycloheptatrienylidene)-1,3-indandione
SpectraBase Compound ID FXECGB54cn6
InChI InChI=1S/C16H10O2/c17-15-12-9-5-6-10-13(12)16(18)14(15)11-7-3-1-2-4-8-11/h1-10H
InChIKey TYFVLAZSVODDOZ-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C16H10O2
Exact Mass 234.06808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KDMtS8v1W29
Name 2-(2,4,6-Cycloheptatrienylidene)-1,3-indandione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.068079560 u
Formula C16H10O2
InChI InChI=1S/C16H10O2/c17-15-12-9-5-6-10-13(12)16(18)14(15)11-7-3-1-2-4-8-11/h1-10H
InChIKey TYFVLAZSVODDOZ-UHFFFAOYSA-N
Molecular Weight 234.254 g/mol
SMILES C1(C=CC=CC=C1)=C1C(C2=CC=CC=C2C1=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963404