SpectraBase Spectrum ID |
Hz7rHQq5yT1 |
Name |
1-Methyl-4-[1-(4-methylphenyl)buta-1,3-dienyl]benzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
234.140850580 u |
Formula |
C18H18 |
InChI |
InChI=1S/C18H18/c1-4-5-18(16-10-6-14(2)7-11-16)17-12-8-15(3)9-13-17/h4-13H,1H2,2-3H3 |
InChIKey |
XKWGSXSZRDBDMT-UHFFFAOYSA-N |
Molecular Weight |
234.342 g/mol |
SMILES |
C(=CC=C)(C=1C=CC(=CC1)C)C=1C=CC(=CC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901155 |