| SpectraBase Compound ID | JFxRN3jaxF0 |
|---|---|
| InChI | InChI=1S/C9H18ClNO2/c1-11(2)7-8-13-9(12)5-3-4-6-10/h3-8H2,1-2H3 |
| InChIKey | DGGMOGREHWBVIZ-UHFFFAOYSA-N |
| Mol Weight | 207.7 g/mol |
| Molecular Formula | C9H18ClNO2 |
| Exact Mass | 207.102607 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KV6EDGz0jiv |
|---|---|
| Name | 5-Clorovaleric acid, 2-dimethylaminoethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.102606522 u |
| Formula | C9H18ClNO2 |
| InChI | InChI=1S/C9H18ClNO2/c1-11(2)7-8-13-9(12)5-3-4-6-10/h3-8H2,1-2H3 |
| InChIKey | DGGMOGREHWBVIZ-UHFFFAOYSA-N |
| Molecular Weight | 207.701 g/mol |
| SMILES | C(OCCN(C)C)(CCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969783 |