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1,2,3-tris[(E)-phenylmethylene]cyclopentane

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

1,2,3-tris[(E)-phenylmethylene]cyclopentane
SpectraBase Compound ID 4Oi3zuu1mB1
InChI InChI=1S/C26H22/c1-4-10-21(11-5-1)18-24-16-17-25(19-22-12-6-2-7-13-22)26(24)20-23-14-8-3-9-15-23/h1-15,18-20H,16-17H2/b24-18+,25-19+
InChIKey NSTOADSSEOJBFU-SIHVKLMXSA-N
Mol Weight 334.46 g/mol
Molecular Formula C26H22
Exact Mass 334.172151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Bi71haxorjJ
Name 1,2,3-Tris[(E)-phenylmethylene]cyclopentane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.172150708 u
Formula C26H22
InChI InChI=1S/C26H22/c1-4-10-21(11-5-1)18-24-16-17-25(19-22-12-6-2-7-13-22)26(24)20-23-14-8-3-9-15-23/h1-15,18-20H,16-17H2/b24-18+,25-19+
InChIKey NSTOADSSEOJBFU-SIHVKLMXSA-N
Molecular Weight 334.462 g/mol
SMILES C1(\C(=C\C=2C=CC=CC2)CC\C1=C\C=1C=CC=CC1)=CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870327