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(1'-Methyl-3'-phenyl-2'-propynyl)-benzene

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

(1'-Methyl-3'-phenyl-2'-propynyl)-benzene
SpectraBase Compound ID G8QUprwJkav
InChI InChI=1S/C16H14/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11,14H,1H3/t14-/m0/s1
InChIKey MSKPULVKCJBBCV-AWEZNQCLSA-N
Mol Weight 206.29 g/mol
Molecular Formula C16H14
Exact Mass 206.10955 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4JmrHslQDsh
Name (1'-Methyl-3'-phenyl-2'-propynyl)-benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.109550451 u
Formula C16H14
InChI InChI=1S/C16H14/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11,14H,1H3/t14-/m0/s1
InChIKey MSKPULVKCJBBCV-AWEZNQCLSA-N
Molecular Weight 206.288 g/mol
SMILES C(#CC1=CC=CC=C1)[C@@](C1=CC=CC=C1)(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978689