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9-Phenyl-tricyclo[6.2.2.0*2,7*]dodeca-2(7),3,5-triene

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

9-Phenyl-tricyclo[6.2.2.0*2,7*]dodeca-2(7),3,5-triene
SpectraBase Compound ID 1RKFmIeiW4L
InChI InChI=1S/C18H18/c1-2-6-13(7-3-1)18-12-14-10-11-17(18)16-9-5-4-8-15(14)16/h1-9,14,17-18H,10-12H2
InChIKey VKAFXZCDEPDKBK-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C18H18
Exact Mass 234.140851 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5DXdxLX0Ips
Name 9-Phenyl-tricyclo[6.2.2.0*2,7*]dodeca-2(7),3,5-triene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.140850580 u
Formula C18H18
InChI InChI=1S/C18H18/c1-2-6-13(7-3-1)18-12-14-10-11-17(18)16-9-5-4-8-15(14)16/h1-9,14,17-18H,10-12H2
InChIKey VKAFXZCDEPDKBK-UHFFFAOYSA-N
Molecular Weight 234.342 g/mol
SMILES C12C(CC(CC2)C2=C1C=CC=C2)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905635