| SpectraBase Compound ID | kya9m9Bq2e |
|---|---|
| InChI | InChI=1S/C9H16ClNO2/c10-4-2-1-3-9(12)11-5-7-13-8-6-11/h1-8H2 |
| InChIKey | WVBRKFINNLXIAL-UHFFFAOYSA-N |
| Mol Weight | 205.68 g/mol |
| Molecular Formula | C9H16ClNO2 |
| Exact Mass | 205.086956 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4hdAsDmYOf1 |
|---|---|
| Name | 5-Chlorovaleric acid, morpholide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.086956457 u |
| Formula | C9H16ClNO2 |
| InChI | InChI=1S/C9H16ClNO2/c10-4-2-1-3-9(12)11-5-7-13-8-6-11/h1-8H2 |
| InChIKey | WVBRKFINNLXIAL-UHFFFAOYSA-N |
| Molecular Weight | 205.685 g/mol |
| SMILES | C1CN(CCO1)C(CCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.80457 |