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6-(3-Phenylprop-2-yn-1-yl)-3,4-dihydro-1,1'-biphenyl

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

6-(3-Phenylprop-2-yn-1-yl)-3,4-dihydro-1,1'-biphenyl
SpectraBase Compound ID BoLB1tTReO5
InChI InChI=1S/C21H18/c1-3-10-18(11-4-1)12-9-16-20-15-7-8-17-21(20)19-13-5-2-6-14-19/h1-6,10-11,13-15,17H,7-8,16H2
InChIKey CKVNEBKQSWCHOD-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C21H18
Exact Mass 270.140851 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A1wdaFNMG1S
Name 6-(3-Phenylprop-2-yn-1-yl)-3,4-dihydro-1,1'-biphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.140850580 u
Formula C21H18
InChI InChI=1S/C21H18/c1-3-10-18(11-4-1)12-9-16-20-15-7-8-17-21(20)19-13-5-2-6-14-19/h1-6,10-11,13-15,17H,7-8,16H2
InChIKey CKVNEBKQSWCHOD-UHFFFAOYSA-N
Molecular Weight 270.375 g/mol
SMILES C1=C(C(=CCC1)CC#CC1=CC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.818899