| SpectraBase Compound ID | SXsmMmEBg4 |
|---|---|
| InChI | InChI=1S/C7H15ClO2/c1-2-3-4-10-6-7(9)5-8/h7,9H,2-6H2,1H3 |
| InChIKey | IZHGMMBZJWHGND-UHFFFAOYSA-N |
| Mol Weight | 166.65 g/mol |
| Molecular Formula | C7H15ClO2 |
| Exact Mass | 166.076057 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CeWxSe9XRSK |
|---|---|
| Name | 1-Butoxy-3-chloro-2-propanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.076057421 u |
| Formula | C7H15ClO2 |
| InChI | InChI=1S/C7H15ClO2/c1-2-3-4-10-6-7(9)5-8/h7,9H,2-6H2,1H3 |
| InChIKey | IZHGMMBZJWHGND-UHFFFAOYSA-N |
| Molecular Weight | 166.648 g/mol |
| SMILES | C(COCCCC)(CCl)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983211 |