SpectraBase Spectrum ID |
7dGcEkGqICV |
Name |
(E),(Z)-1-Benzylidene-6-(1,1-dimethylethyl)-1H-indene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
260.156500644 u |
Formula |
C20H20 |
InChI |
InChI=1S/C20H20/c1-20(2,3)18-12-11-16-9-10-17(19(16)14-18)13-15-7-5-4-6-8-15/h4-14H,1-3H3/b17-13- |
InChIKey |
ZAXRDTZKQKUCQK-LGMDPLHJSA-N |
Molecular Weight |
260.380 g/mol |
SMILES |
C=12\C(C=CC1C=CC(=C2)C(C)(C)C)=C/C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930336 |