| SpectraBase Compound ID | BtiNRhIXZxr |
|---|---|
| InChI | InChI=1S/C11H23NO/c1-5-7-12(8-6-2)11(13)9-10(3)4/h10H,5-9H2,1-4H3 |
| InChIKey | CJKSQXGGJKJTNK-UHFFFAOYSA-N |
| Mol Weight | 185.31 g/mol |
| Molecular Formula | C11H23NO |
| Exact Mass | 185.177964 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EtJO8agRSLC |
|---|---|
| Name | Isovaleramide, N,N-dipropyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.177964364 u |
| Formula | C11H23NO |
| InChI | InChI=1S/C11H23NO/c1-5-7-12(8-6-2)11(13)9-10(3)4/h10H,5-9H2,1-4H3 |
| InChIKey | CJKSQXGGJKJTNK-UHFFFAOYSA-N |
| Molecular Weight | 185.311 g/mol |
| SMILES | C(N(CCC)CCC)(=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965504 |