| SpectraBase Compound ID | JZFCdFb39Aa |
|---|---|
| InChI | InChI=1S/C9H17ClO/c1-2-3-4-8-7-11-6-5-9(8)10/h8-9H,2-7H2,1H3 |
| InChIKey | INMCIIZTCKODED-UHFFFAOYSA-N |
| Mol Weight | 176.69 g/mol |
| Molecular Formula | C9H17ClO |
| Exact Mass | 176.096793 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GmqC2xUUJ5h |
|---|---|
| Name | 4-Chloro-3-N-butyltetrahydropyran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.096792866 u |
| Formula | C9H17ClO |
| InChI | InChI=1S/C9H17ClO/c1-2-3-4-8-7-11-6-5-9(8)10/h8-9H,2-7H2,1H3 |
| InChIKey | INMCIIZTCKODED-UHFFFAOYSA-N |
| Molecular Weight | 176.687 g/mol |
| SMILES | C1CC(C(CO1)CCCC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923229 |