SpectraBase Compound ID | 3ST1QYZoofs |
---|---|
InChI | InChI=1S/C10H4Cl6/c11-7(9(13)14)5-1-2-6(4-3-5)8(12)10(15)16/h1-4H |
InChIKey | YYYRGBNWBJUXTA-UHFFFAOYSA-N |
Mol Weight | 336.9 g/mol |
Molecular Formula | C10H4Cl6 |
Exact Mass | 333.844416 g/mol |
SpectraBase Spectrum ID | 3n4e1OdePXH |
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Name | Benzene p-bis[trichlorovinyl]- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 333.844416329 u |
Formula | C10H4Cl6 |
InChI | InChI=1S/C10H4Cl6/c11-7(9(13)14)5-1-2-6(4-3-5)8(12)10(15)16/h1-4H |
InChIKey | YYYRGBNWBJUXTA-UHFFFAOYSA-N |
Molecular Weight | 336.860 g/mol |
SMILES | C1(=CC=C(C=C1)C(=C(Cl)Cl)Cl)C(=C(Cl)Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.835623 |