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,,,',','-Hexakis(chloromethyl)-p-xylene

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,,,',','-Hexakis(chloromethyl)-p-xylene
SpectraBase Compound ID Idr4qP27irn
InChI InChI=1S/C14H16Cl6/c15-5-13(6-16,7-17)11-1-2-12(4-3-11)14(8-18,9-19)10-20/h1-4H,5-10H2
InChIKey CQTCJJJTBBFJJX-UHFFFAOYSA-N
Mol Weight 397.0 g/mol
Molecular Formula C14H16Cl6
Exact Mass 393.938317 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J2em7SMPBGz
Name ,,,',','-hexakis(chloromethyl)-p-xylene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.938316715 u
Formula C14H16Cl6
InChI InChI=1S/C14H16Cl6/c15-5-13(6-16,7-17)11-1-2-12(4-3-11)14(8-18,9-19)10-20/h1-4H,5-10H2
InChIKey CQTCJJJTBBFJJX-UHFFFAOYSA-N
Molecular Weight 397.000 g/mol
SMILES C(C=1C=CC(C(CCl)(CCl)CCl)=CC1)(CCl)(CCl)CCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.843541