SpectraBase Compound ID | JcGX4PdFu9U |
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InChI | InChI=1S/C5H2Cl10/c6-2(7,4(10,11)12)1-3(8,9)5(13,14)15/h1H2 |
InChIKey | OMSICRUTXGVMJR-UHFFFAOYSA-N |
Mol Weight | 416.6 g/mol |
Molecular Formula | C5H2Cl10 |
Exact Mass | 411.704177 g/mol |
SpectraBase Spectrum ID | 628z1QLAeOH |
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Name | 1,1,1,2,2,4,4,5,5,5-Decachloropentane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 411.704177064 u |
Formula | C5H2Cl10 |
InChI | InChI=1S/C5H2Cl10/c6-2(7,4(10,11)12)1-3(8,9)5(13,14)15/h1H2 |
InChIKey | OMSICRUTXGVMJR-UHFFFAOYSA-N |
Molecular Weight | 416.601 g/mol |
SMILES | C(Cl)(Cl)(Cl)C(Cl)(Cl)CC(C(Cl)(Cl)Cl)(Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929153 |