| SpectraBase Compound ID | DYcK8c9PdOo |
|---|---|
| InChI | InChI=1S/C14H17ClO4/c15-9-11-19-14(17)7-6-13(16)18-10-8-12-4-2-1-3-5-12/h1-5H,6-11H2 |
| InChIKey | XDCGMUHMVGHHNY-UHFFFAOYSA-N |
| Mol Weight | 284.74 g/mol |
| Molecular Formula | C14H17ClO4 |
| Exact Mass | 284.081537 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ITCuDfdkbzv |
|---|---|
| Name | Succinic acid, phenethyl 2-chloroethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.081536723 u |
| Formula | C14H17ClO4 |
| InChI | InChI=1S/C14H17ClO4/c15-9-11-19-14(17)7-6-13(16)18-10-8-12-4-2-1-3-5-12/h1-5H,6-11H2 |
| InChIKey | XDCGMUHMVGHHNY-UHFFFAOYSA-N |
| SMILES | C(COC(CCC(OCCC1=CC=CC=C1)=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.807096 |