| SpectraBase Compound ID | 6PssrDFtmSO |
|---|---|
| InChI | InChI=1S/C11H22ClNO2/c1-3-13(4-2)9-10-15-11(14)7-5-6-8-12/h3-10H2,1-2H3 |
| InChIKey | WRROAUVMRXRUGK-UHFFFAOYSA-N |
| Mol Weight | 235.75 g/mol |
| Molecular Formula | C11H22ClNO2 |
| Exact Mass | 235.133907 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | REastiKCtN |
|---|---|
| Name | 5-Clorovaleric acid, 2-diethylaminoethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.133906650 u |
| Formula | C11H22ClNO2 |
| InChI | InChI=1S/C11H22ClNO2/c1-3-13(4-2)9-10-15-11(14)7-5-6-8-12/h3-10H2,1-2H3 |
| InChIKey | WRROAUVMRXRUGK-UHFFFAOYSA-N |
| Molecular Weight | 235.755 g/mol |
| SMILES | C(OCCN(CC)CC)(CCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968904 |