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1-(Phenylethynyl)-1,2-dihydrocyclobutabenzene

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

1-(Phenylethynyl)-1,2-dihydrocyclobutabenzene
SpectraBase Compound ID Gn9EeSI0VIG
InChI InChI=1S/C16H12/c1-2-6-13(7-3-1)10-11-15-12-14-8-4-5-9-16(14)15/h1-9,15H,12H2
InChIKey GLLOOSNZQDUCNI-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C16H12
Exact Mass 204.0939 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1jZBYhdtvA5
Name 1-(Phenylethynyl)-1,2-dihydrocyclobutabenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.093900386 u
Formula C16H12
InChI InChI=1S/C16H12/c1-2-6-13(7-3-1)10-11-15-12-14-8-4-5-9-16(14)15/h1-9,15H,12H2
InChIKey GLLOOSNZQDUCNI-UHFFFAOYSA-N
Molecular Weight 204.272 g/mol
SMILES C(C1C2=CC=CC=C2C1)#CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948271