| SpectraBase Compound ID | KW2sMBOaTwj |
|---|---|
| InChI | InChI=1S/C5H7ClO/c1-5(7)3-2-4-6/h5,7H,4H2,1H3 |
| InChIKey | NKHVUHJQHZWOLC-UHFFFAOYSA-N |
| Mol Weight | 118.56 g/mol |
| Molecular Formula | C5H7ClO |
| Exact Mass | 118.018543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3U8fPrMqhoF |
|---|---|
| Name | 3-Pentyn-2-ol, 5-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.018542544 u |
| Formula | C5H7ClO |
| InChI | InChI=1S/C5H7ClO/c1-5(7)3-2-4-6/h5,7H,4H2,1H3 |
| InChIKey | NKHVUHJQHZWOLC-UHFFFAOYSA-N |
| Molecular Weight | 118.563 g/mol |
| SMILES | CC(C#CCCl)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883381 |