| SpectraBase Compound ID | DShZCZ0PrY9 |
|---|---|
| InChI | InChI=1S/C11H13ClO/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h4-7,11H,1-3,8H2 |
| InChIKey | NUGIMYMDDZSNKW-UHFFFAOYSA-N |
| Mol Weight | 196.68 g/mol |
| Molecular Formula | C11H13ClO |
| Exact Mass | 196.065493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | gCyQmwMkBh |
|---|---|
| Name | 2-(4-Chlorophenyl)oxane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.065492738 u |
| Formula | C11H13ClO |
| InChI | InChI=1S/C11H13ClO/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h4-7,11H,1-3,8H2 |
| InChIKey | NUGIMYMDDZSNKW-UHFFFAOYSA-N |
| Molecular Weight | 196.677 g/mol |
| SMILES | C1(CCCCO1)C=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915735 |