| SpectraBase Compound ID | HhIekDs44OT |
|---|---|
| InChI | InChI=1S/C7H13ClO/c1-2-7(6-8)4-3-5-9/h2,9H,3-6H2,1H3/b7-2+ |
| InChIKey | JEBCQMQQJYGMQZ-FARCUNLSSA-N |
| Mol Weight | 148.63 g/mol |
| Molecular Formula | C7H13ClO |
| Exact Mass | 148.065493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EPcPNbjPaFU |
|---|---|
| Name | 4-Hexen-1-ol, 4-(chloromethyl)-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.065492738 u |
| Formula | C7H13ClO |
| InChI | InChI=1S/C7H13ClO/c1-2-7(6-8)4-3-5-9/h2,9H,3-6H2,1H3/b7-2+ |
| InChIKey | JEBCQMQQJYGMQZ-FARCUNLSSA-N |
| Molecular Weight | 148.633 g/mol |
| SMILES | C\C=C\(CCl)CCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900143 |