![Piperazine, 1-[2-chloroethyl]-4-[3-chloropropyl]-](/api/spectrum/B11mQl2zdeY/structure.png?h=300&w=458 "Piperazine, 1-[2-chloroethyl]-4-[3-chloropropyl]-")
| SpectraBase Compound ID | 9B9TNd1u5l0 |
|---|---|
| InChI | InChI=1S/C9H18Cl2N2/c10-2-1-4-12-6-8-13(5-3-11)9-7-12/h1-9H2 |
| InChIKey | QPTRATAVQVHORS-UHFFFAOYSA-N |
| Mol Weight | 225.16 g/mol |
| Molecular Formula | C9H18Cl2N2 |
| Exact Mass | 224.084704 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B11mQl2zdeY |
|---|---|
| Name | Piperazine, 1-[2-chloroethyl]-4-[3-chloropropyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.084703988 u |
| Formula | C9H18Cl2N2 |
| InChI | InChI=1S/C9H18Cl2N2/c10-2-1-4-12-6-8-13(5-3-11)9-7-12/h1-9H2 |
| InChIKey | QPTRATAVQVHORS-UHFFFAOYSA-N |
| Molecular Weight | 225.163 g/mol |
| SMILES | C1N(CCN(C1)CCCCl)CCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956732 |