| SpectraBase Compound ID | LioAGY4HjGh |
|---|---|
| InChI | InChI=1S/C4H5ClO/c1-6-4-2-3-5/h4H2,1H3 |
| InChIKey | JSJPEDYUHDYVCT-UHFFFAOYSA-N |
| Mol Weight | 104.54 g/mol |
| Molecular Formula | C4H5ClO |
| Exact Mass | 104.002892 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I8epvqdlwCX |
|---|---|
| Name | 1-Propyne, 1-chloro-3-methoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 104.002892480 u |
| Formula | C4H5ClO |
| InChI | InChI=1S/C4H5ClO/c1-6-4-2-3-5/h4H2,1H3 |
| InChIKey | JSJPEDYUHDYVCT-UHFFFAOYSA-N |
| Molecular Weight | 104.536 g/mol |
| SMILES | C(#CCl)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950031 |