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Tricyclo[11.2.2]heptedeca-13,15(1),16-trien-12-one

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

Tricyclo[11.2.2]heptedeca-13,15(1),16-trien-12-one
SpectraBase Compound ID FgepfUxPjxV
InChI InChI=1S/C17H24O/c18-17-10-8-6-4-2-1-3-5-7-9-15-11-13-16(17)14-12-15/h11-14H,1-10H2
InChIKey CNBNZLGAOOYIBZ-UHFFFAOYSA-N
Mol Weight 244.38 g/mol
Molecular Formula C17H24O
Exact Mass 244.182715 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E2gbcvgICgP
Name Tricyclo[11.2.2]heptedeca-13,15(1),16-trien-12-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.182715392 u
Formula C17H24O
InChI InChI=1S/C17H24O/c18-17-10-8-6-4-2-1-3-5-7-9-15-11-13-16(17)14-12-15/h11-14H,1-10H2
InChIKey CNBNZLGAOOYIBZ-UHFFFAOYSA-N
Molecular Weight 244.378 g/mol
SMILES C1(C=2C=CC(=CC2)CCCCCCCCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875442