| SpectraBase Compound ID | I0nuwF3euo2 |
|---|---|
| InChI | InChI=1S/C4H5Cl3/c5-2-3-1-4(3,6)7/h3H,1-2H2 |
| InChIKey | XLBKTCKKJAGMQS-UHFFFAOYSA-N |
| Mol Weight | 159.44 g/mol |
| Molecular Formula | C4H5Cl3 |
| Exact Mass | 157.945683 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | N2etl4KcfI |
|---|---|
| Name | 2-(Chloromethyl)-1,1-dichlorocyclopropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.945683261 u |
| Formula | C4H5Cl3 |
| InChI | InChI=1S/C4H5Cl3/c5-2-3-1-4(3,6)7/h3H,1-2H2 |
| InChIKey | XLBKTCKKJAGMQS-UHFFFAOYSA-N |
| Molecular Weight | 159.443 g/mol |
| SMILES | C1(C(C1)(Cl)Cl)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.838216 |