| SpectraBase Compound ID | GnWkahOexPt |
|---|---|
| InChI | InChI=1S/C12H25NO3/c1-2-3-4-5-6-7-12(16)13(8-10-14)9-11-15/h14-15H,2-11H2,1H3 |
| InChIKey | FZQAYFWUOCXLKJ-UHFFFAOYSA-N |
| Mol Weight | 231.34 g/mol |
| Molecular Formula | C12H25NO3 |
| Exact Mass | 231.183444 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DXkYoi9x6uy |
|---|---|
| Name | Octanamide, N,N-bis(2-hydroxyethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.183443666 u |
| Formula | C12H25NO3 |
| InChI | InChI=1S/C12H25NO3/c1-2-3-4-5-6-7-12(16)13(8-10-14)9-11-15/h14-15H,2-11H2,1H3 |
| InChIKey | FZQAYFWUOCXLKJ-UHFFFAOYSA-N |
| Molecular Weight | 231.336 g/mol |
| SMILES | C(CCCCCCC)(=O)N(CCO)CCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933964 |