SpectraBase Spectrum ID |
74EgLaWXKqW |
Name |
3-[(E)-2,2-Dimethylpropylidene]-2-[(Z)-(4-methylphenyl)methylene]-1-[(E)-phenylmethylene]cyclopentane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
328.219100902 u |
Formula |
C25H28 |
InChI |
InChI=1S/C25H28/c1-19-10-12-21(13-11-19)17-24-22(16-20-8-6-5-7-9-20)14-15-23(24)18-25(2,3)4/h5-13,16-18H,14-15H2,1-4H3/b22-16+,23-18+,24-17+ |
InChIKey |
YTENYKIEDWLHRR-ZRVCBFHZSA-N |
Molecular Weight |
328.499 g/mol |
SMILES |
C(\C=C\1\C(\C(CC1)=C\C=1C=CC=CC1)=C\C1=CC=C(C=C1)C)(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920208 |