| SpectraBase Compound ID | GfwulKzAVZN |
|---|---|
| InChI | InChI=1S/C11H14Cl2O/c1-2-3-4-7-14-11-8-9(12)5-6-10(11)13/h5-6,8H,2-4,7H2,1H3 |
| InChIKey | MDIWBJBDNPDEKY-UHFFFAOYSA-N |
| Mol Weight | 233.14 g/mol |
| Molecular Formula | C11H14Cl2O |
| Exact Mass | 232.04217 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HlVjC9ZhmHf |
|---|---|
| Name | 2,5-Dichlorophenol, N-pentyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.042170470 u |
| Formula | C11H14Cl2O |
| InChI | InChI=1S/C11H14Cl2O/c1-2-3-4-7-14-11-8-9(12)5-6-10(11)13/h5-6,8H,2-4,7H2,1H3 |
| InChIKey | MDIWBJBDNPDEKY-UHFFFAOYSA-N |
| Molecular Weight | 233.138 g/mol |
| SMILES | C1(=CC=C(C=C1OCCCCC)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878764 |