For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5-Chloro-1,2,3,4-tetraphenylcyclopentadiene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

5-Chloro-1,2,3,4-tetraphenylcyclopentadiene
SpectraBase Compound ID GSNvclqo2uF
InChI InChI=1S/C29H21Cl/c30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24/h1-20,29H
InChIKey QKIQTYPWMVHSNI-UHFFFAOYSA-N
Mol Weight 404.94 g/mol
Molecular Formula C29H21Cl
Exact Mass 404.133178 g/mol

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7P5Rdzg0h7b
Name 5-Chloro-1,2,3,4-tetraphenylcyclopentadiene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.133178376 u
Formula C29H21Cl
InChI InChI=1S/C29H21Cl/c30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24/h1-20,29H
InChIKey QKIQTYPWMVHSNI-UHFFFAOYSA-N
Molecular Weight 404.940 g/mol
SMILES C=1C(=CC=CC1)C1=C(C(=C(C1Cl)C=1C=CC=CC1)C=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.996015