| SpectraBase Compound ID | 5aZwvcfmdJ1 |
|---|---|
| InChI | InChI=1S/C6H11ClO3/c1-5(8)10-6(3-7)4-9-2/h6H,3-4H2,1-2H3 |
| InChIKey | KYQXJEOUFXTRCZ-UHFFFAOYSA-N |
| Mol Weight | 166.6 g/mol |
| Molecular Formula | C6H11ClO3 |
| Exact Mass | 166.039672 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9DD8HY5kAiQ |
|---|---|
| Name | 1-Chloro-3-methoxypropan-2-yl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.039671911 u |
| Formula | C6H11ClO3 |
| InChI | InChI=1S/C6H11ClO3/c1-5(8)10-6(3-7)4-9-2/h6H,3-4H2,1-2H3 |
| InChIKey | KYQXJEOUFXTRCZ-UHFFFAOYSA-N |
| Molecular Weight | 166.604 g/mol |
| SMILES | C(Cl)C(OC(=O)C)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879584 |