| SpectraBase Compound ID | EPum3qLDnMi |
|---|---|
| InChI | InChI=1S/C4HCl5/c5-1-2(6)3(7)4(8)9/h1H/b2-1- |
| InChIKey | LMCCPYJNBKRUNQ-UPHRSURJSA-N |
| Mol Weight | 226.3 g/mol |
| Molecular Formula | C4HCl5 |
| Exact Mass | 223.852089 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 91FIbHXwvKy |
|---|---|
| Name | (Z)-1,1,2,3,4-Pentachlorobuta-1,3-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.852088532 u |
| Formula | C4HCl5 |
| InChI | InChI=1S/C4HCl5/c5-1-2(6)3(7)4(8)9/h1H/b2-1- |
| InChIKey | LMCCPYJNBKRUNQ-UPHRSURJSA-N |
| SMILES | C(Cl)(Cl)=C(Cl)\C(Cl)=C\Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884306 |