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Ethane, 1-(2,3-xylyl)-1-(3,4-xylyl)-

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

Ethane, 1-(2,3-xylyl)-1-(3,4-xylyl)-
SpectraBase Compound ID 9CkB2AAGCMG
InChI InChI=1S/C18H22/c1-12-9-10-17(11-14(12)3)16(5)18-8-6-7-13(2)15(18)4/h6-11,16H,1-5H3
InChIKey GAYGTTQJQBOZLS-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 KaWRr3M2Cbt
Name Ethane, 1-(2,3-xylyl)-1-(3,4-xylyl)-
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/c1-12-9-10-17(11-14(12)3)16(5)18-8-6-7-13(2)15(18)4/h6-11,16H,1-5H3
InChIKey GAYGTTQJQBOZLS-UHFFFAOYSA-N
Molecular Weight 238.374 g/mol
SMILES CC(C1=C(C)C(C)=CC=C1)C1=CC(C)=C(C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925721