| SpectraBase Compound ID | Io9q7WLqQw1 |
|---|---|
| InChI | InChI=1S/C9H15ClO4/c1-3-13-8(11)4-5-9(12)14-6-7(2)10/h7H,3-6H2,1-2H3 |
| InChIKey | JBPBSXHYWSBZCF-UHFFFAOYSA-N |
| Mol Weight | 222.67 g/mol |
| Molecular Formula | C9H15ClO4 |
| Exact Mass | 222.065887 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9Au5mghYXJK |
|---|---|
| Name | Succinic acid, 2-chloropropyl ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.065886659 u |
| Formula | C9H15ClO4 |
| InChI | InChI=1S/C9H15ClO4/c1-3-13-8(11)4-5-9(12)14-6-7(2)10/h7H,3-6H2,1-2H3 |
| InChIKey | JBPBSXHYWSBZCF-UHFFFAOYSA-N |
| Molecular Weight | 222.668 g/mol |
| SMILES | C(OCC(C)Cl)(CCC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894842 |