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1,4-bis(3,3-Dimethylbut-1-ynyl)benzene

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1,4-bis(3,3-Dimethylbut-1-ynyl)benzene
SpectraBase Compound ID LP5nZKgC7EP
InChI InChI=1S/C18H22/c1-17(2,3)13-11-15-7-9-16(10-8-15)12-14-18(4,5)6/h7-10H,1-6H3
InChIKey IOTLBXHSJYXMIH-UHFFFAOYSA-N
Mol Weight 238.37 g/mol
Molecular Formula C18H22
Exact Mass 238.172151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LxiSDB5WJnb
Name 1,4-bis(3,3-Dimethylbut-1-ynyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.172150708 u
Formula C18H22
InChI InChI=1S/C18H22/c1-17(2,3)13-11-15-7-9-16(10-8-15)12-14-18(4,5)6/h7-10H,1-6H3
InChIKey IOTLBXHSJYXMIH-UHFFFAOYSA-N
Molecular Weight 238.374 g/mol
SMILES C(#CC1=CC=C(C#CC(C)(C)C)C=C1)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842481