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3-[(E)-2,2-dimethylpropylidene]-2-[(Z)-(4-methylphenyl)methylene]-1-[(E)-phenylmethylene]cyclopentane
SpectraBase Compound ID bSNKrvtuPD
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
Mol Weight 328.5 g/mol
Molecular Formula C25H28
Exact Mass 328.219101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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