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Tetrakis[4-(chloromethyl)phenyl]methane

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

Tetrakis[4-(chloromethyl)phenyl]methane
SpectraBase Compound ID KKMm2fNGWhY
InChI InChI=1S/C29H24Cl4/c30-17-21-1-9-25(10-2-21)29(26-11-3-22(18-31)4-12-26,27-13-5-23(19-32)6-14-27)28-15-7-24(20-33)8-16-28/h1-16H,17-20H2
InChIKey PFFJEPUAQWBQMR-UHFFFAOYSA-N
Mol Weight 514.3 g/mol
Molecular Formula C29H24Cl4
Exact Mass 512.063212 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 99eoonYluwm
Name Tetrakis[4-(chloromethyl)phenyl]methane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.063211573 u
Formula C29H24Cl4
InChI InChI=1S/C29H24Cl4/c30-17-21-1-9-25(10-2-21)29(26-11-3-22(18-31)4-12-26,27-13-5-23(19-32)6-14-27)28-15-7-24(20-33)8-16-28/h1-16H,17-20H2
InChIKey PFFJEPUAQWBQMR-UHFFFAOYSA-N
Molecular Weight 514.323 g/mol
SMILES C(C1=CC=C(C=C1)CCl)(C=1C=CC(=CC1)CCl)(C=1C=CC(=CC1)CCl)C=1C=CC(=CC1)CCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880611