| SpectraBase Compound ID | 8RIlsJM5DKY |
|---|---|
| InChI | InChI=1S/C6H9ClO3/c1-2-6(9)10-4-5(8)3-7/h2,5,8H,1,3-4H2 |
| InChIKey | POTYORUTRLSAGZ-UHFFFAOYSA-N |
| Mol Weight | 164.59 g/mol |
| Molecular Formula | C6H9ClO3 |
| Exact Mass | 164.024022 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4eUGopUn9C5 |
|---|---|
| Name | 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.024021847 u |
| Formula | C6H9ClO3 |
| InChI | InChI=1S/C6H9ClO3/c1-2-6(9)10-4-5(8)3-7/h2,5,8H,1,3-4H2 |
| InChIKey | POTYORUTRLSAGZ-UHFFFAOYSA-N |
| Molecular Weight | 164.588 g/mol |
| SMILES | C=CC(OCC(CCl)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96688 |