| SpectraBase Compound ID | BhGwzF5Vh3r |
|---|---|
| InChI | InChI=1S/C13H23NO3/c1-2-17-13(16)9-5-4-8-12(15)14-10-6-3-7-11-14/h2-11H2,1H3 |
| InChIKey | USISSVMCEZQCCP-UHFFFAOYSA-N |
| Mol Weight | 241.33 g/mol |
| Molecular Formula | C13H23NO3 |
| Exact Mass | 241.167794 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BqkNm1kORSp |
|---|---|
| Name | Adipic acid, monopiperidide, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.167793602 u |
| Formula | C13H23NO3 |
| InChI | InChI=1S/C13H23NO3/c1-2-17-13(16)9-5-4-8-12(15)14-10-6-3-7-11-14/h2-11H2,1H3 |
| InChIKey | USISSVMCEZQCCP-UHFFFAOYSA-N |
| Molecular Weight | 241.331 g/mol |
| SMILES | C(C(=O)N1CCCCC1)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97964 |