| SpectraBase Compound ID | AY8bbeQFUj1 |
|---|---|
| InChI | InChI=1S/C13H19ClO/c1-2-3-4-5-6-10-15-13-9-7-8-12(14)11-13/h7-9,11H,2-6,10H2,1H3 |
| InChIKey | BHKFMPNVGOYSOK-UHFFFAOYSA-N |
| Mol Weight | 226.75 g/mol |
| Molecular Formula | C13H19ClO |
| Exact Mass | 226.112443 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 71fASngixas |
|---|---|
| Name | 3-Chlorophenyl heptyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.112442931 u |
| Formula | C13H19ClO |
| InChI | InChI=1S/C13H19ClO/c1-2-3-4-5-6-10-15-13-9-7-8-12(14)11-13/h7-9,11H,2-6,10H2,1H3 |
| InChIKey | BHKFMPNVGOYSOK-UHFFFAOYSA-N |
| Molecular Weight | 226.747 g/mol |
| SMILES | C1=C(C=C(C=C1)Cl)OCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830947 |