| SpectraBase Compound ID | 52jk1U0zlsx |
|---|---|
| InChI | InChI=1S/C8H17ClO/c1-2-3-7-10-8-5-4-6-9/h2-8H2,1H3 |
| InChIKey | IJEMZYKPFZPVAV-UHFFFAOYSA-N |
| Mol Weight | 164.68 g/mol |
| Molecular Formula | C8H17ClO |
| Exact Mass | 164.096793 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HN1pOCVxZ5A |
|---|---|
| Name | 1-Butoxy-4-chlorobutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.096792866 u |
| Formula | C8H17ClO |
| InChI | InChI=1S/C8H17ClO/c1-2-3-7-10-8-5-4-6-9/h2-8H2,1H3 |
| InChIKey | IJEMZYKPFZPVAV-UHFFFAOYSA-N |
| Molecular Weight | 164.676 g/mol |
| SMILES | C(CCCCl)OCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975092 |