| SpectraBase Compound ID | 3MCeCyiPA7g |
|---|---|
| InChI | InChI=1S/C10H18Cl2O2/c11-7-5-3-1-2-4-6-8-14-10(13)9-12/h1-9H2 |
| InChIKey | FBWYWOXCNBCYJZ-UHFFFAOYSA-N |
| Mol Weight | 241.16 g/mol |
| Molecular Formula | C10H18Cl2O2 |
| Exact Mass | 240.068385 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1MVBt3Bzh2M |
|---|---|
| Name | Chloroacetic acid, 8-chlorooctyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.068385218 u |
| Formula | C10H18Cl2O2 |
| InChI | InChI=1S/C10H18Cl2O2/c11-7-5-3-1-2-4-6-8-14-10(13)9-12/h1-9H2 |
| InChIKey | FBWYWOXCNBCYJZ-UHFFFAOYSA-N |
| Molecular Weight | 241.158 g/mol |
| SMILES | C(C(=O)OCCCCCCCCCl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965366 |