| SpectraBase Compound ID | Kc6T3YqZMCi |
|---|---|
| InChI | InChI=1S/C13H27NO/c1-6-8-12(5)14(9-7-2)13(15)10-11(3)4/h11-12H,6-10H2,1-5H3 |
| InChIKey | ZNZMSURCRBWJJO-UHFFFAOYSA-N |
| Mol Weight | 213.36 g/mol |
| Molecular Formula | C13H27NO |
| Exact Mass | 213.209264 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JF1GyzDum63 |
|---|---|
| Name | Isovaleramide, N-(2-pentyl)-N-propyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.209264492 u |
| Formula | C13H27NO |
| InChI | InChI=1S/C13H27NO/c1-6-8-12(5)14(9-7-2)13(15)10-11(3)4/h11-12H,6-10H2,1-5H3 |
| InChIKey | ZNZMSURCRBWJJO-UHFFFAOYSA-N |
| Molecular Weight | 213.365 g/mol |
| SMILES | C(N(CCC)C(CCC)C)(=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937554 |