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7-Phenyl-8-(phenylethynyl)bicyclo[4.2.1]nona-2,4,7-triene

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

7-Phenyl-8-(phenylethynyl)bicyclo[4.2.1]nona-2,4,7-triene
SpectraBase Compound ID 5F5MgRhOawI
InChI InChI=1S/C23H18/c1-3-9-18(10-4-1)15-16-22-20-13-7-8-14-21(17-20)23(22)19-11-5-2-6-12-19/h1-14,20-21H,17H2
InChIKey MAKLROBKFCAMBX-UHFFFAOYSA-N
Mol Weight 294.4 g/mol
Molecular Formula C23H18
Exact Mass 294.140851 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 51NKjKd5TIP
Name 7-Phenyl-8-(phenylethynyl)bicyclo[4.2.1]nona-2,4,7-triene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.140850580 u
Formula C23H18
InChI InChI=1S/C23H18/c1-3-9-18(10-4-1)15-16-22-20-13-7-8-14-21(17-20)23(22)19-11-5-2-6-12-19/h1-14,20-21H,17H2
InChIKey MAKLROBKFCAMBX-UHFFFAOYSA-N
SMILES C1(C#CC2=CC=CC=C2)=C(C2C=CC=CC1C2)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.831923