| SpectraBase Compound ID | 4NYNhf3uzmG |
|---|---|
| InChI | InChI=1S/C5H9ClO3/c1-8-4(3-6)5(7)9-2/h4H,3H2,1-2H3 |
| InChIKey | LAXPJABNNDAFQZ-UHFFFAOYSA-N |
| Mol Weight | 152.58 g/mol |
| Molecular Formula | C5H9ClO3 |
| Exact Mass | 152.024022 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hr4caf7u65Y |
|---|---|
| Name | Methyl 3-chloro-2-methoxypropanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.024021847 u |
| Formula | C5H9ClO3 |
| InChI | InChI=1S/C5H9ClO3/c1-8-4(3-6)5(7)9-2/h4H,3H2,1-2H3 |
| InChIKey | LAXPJABNNDAFQZ-UHFFFAOYSA-N |
| SMILES | C(C(CCl)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967147 |