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1-(2'-Phenylethynyl)-1,2-dihydronaphthalene

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1-(2'-Phenylethynyl)-1,2-dihydronaphthalene
SpectraBase Compound ID 1Iowa2gb556
InChI InChI=1S/C18H14/c1-2-7-15(8-3-1)13-14-17-11-6-10-16-9-4-5-12-18(16)17/h1-10,12,17H,11H2
InChIKey IQOINHOYPJTURM-UHFFFAOYSA-N
Mol Weight 230.31 g/mol
Molecular Formula C18H14
Exact Mass 230.10955 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IMSnfAaRXCg
Name 1-(2'-Phenylethynyl)-1,2-dihydronaphthalene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.109550451 u
Formula C18H14
InChI InChI=1S/C18H14/c1-2-7-15(8-3-1)13-14-17-11-6-10-16-9-4-5-12-18(16)17/h1-10,12,17H,11H2
InChIKey IQOINHOYPJTURM-UHFFFAOYSA-N
Molecular Weight 230.310 g/mol
SMILES C(#CC=1C=CC=CC1)C1C2=C(C=CC=C2)C=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965709