| SpectraBase Compound ID | IHJDPEbAkjO |
|---|---|
| InChI | InChI=1S/C11H23NO2/c1-4-7-8-11(13)14-10-9-12(5-2)6-3/h4-10H2,1-3H3 |
| InChIKey | BQPODRBUZYXAQG-UHFFFAOYSA-N |
| Mol Weight | 201.31 g/mol |
| Molecular Formula | C11H23NO2 |
| Exact Mass | 201.172879 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 91c5XYWXZHI |
|---|---|
| Name | Valeric acid, 2-diethylaminoethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.172878983 u |
| Formula | C11H23NO2 |
| InChI | InChI=1S/C11H23NO2/c1-4-7-8-11(13)14-10-9-12(5-2)6-3/h4-10H2,1-3H3 |
| InChIKey | BQPODRBUZYXAQG-UHFFFAOYSA-N |
| Molecular Weight | 201.310 g/mol |
| SMILES | C(CCCC)(=O)OCCN(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.992513 |