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1-(Phenylethynyl)-1-(2'-methylphenyl)cyclopropane

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1-(Phenylethynyl)-1-(2'-methylphenyl)cyclopropane
SpectraBase Compound ID 2Y5J8kmwyq1
InChI InChI=1S/C18H16/c1-15-7-5-6-10-17(15)18(13-14-18)12-11-16-8-3-2-4-9-16/h2-10H,13-14H2,1H3
InChIKey PEKGYIFINJAOMN-UHFFFAOYSA-N
Mol Weight 232.33 g/mol
Molecular Formula C18H16
Exact Mass 232.125201 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7YXNk8i0Am3
Name 1-(Phenylethynyl)-1-(2'-methylphenyl)cyclopropane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.125200515 u
Formula C18H16
InChI InChI=1S/C18H16/c1-15-7-5-6-10-17(15)18(13-14-18)12-11-16-8-3-2-4-9-16/h2-10H,13-14H2,1H3
InChIKey PEKGYIFINJAOMN-UHFFFAOYSA-N
Molecular Weight 232.326 g/mol
SMILES C1(C#CC=2C=CC=CC2)(CC1)C=1C(C)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932787