| SpectraBase Compound ID | 2ViECVIpDWi |
|---|---|
| InChI | InChI=1S/C8H14Cl2O2/c9-5-3-1-2-4-8(11)12-7-6-10/h1-7H2 |
| InChIKey | QXTRHSUKFLHYJD-UHFFFAOYSA-N |
| Mol Weight | 213.1 g/mol |
| Molecular Formula | C8H14Cl2O2 |
| Exact Mass | 212.037085 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 19LvrqkeK6B |
|---|---|
| Name | 6-Chlorohexanoic acid, 2-chloroethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.037085089 u |
| Formula | C8H14Cl2O2 |
| InChI | InChI=1S/C8H14Cl2O2/c9-5-3-1-2-4-8(11)12-7-6-10/h1-7H2 |
| InChIKey | QXTRHSUKFLHYJD-UHFFFAOYSA-N |
| Molecular Weight | 213.104 g/mol |
| SMILES | C(CCCCCCl)(=O)OCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90618 |