| SpectraBase Compound ID | Kp2jVm1rrbG |
|---|---|
| InChI | InChI=1S/C12H25NO/c1-4-7-8-9-11-13(10-5-2)12(14)6-3/h4-11H2,1-3H3 |
| InChIKey | JAKXZJVDMRBWCB-UHFFFAOYSA-N |
| Mol Weight | 199.34 g/mol |
| Molecular Formula | C12H25NO |
| Exact Mass | 199.193614 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HkUKhUFgBOG |
|---|---|
| Name | Propionamide, N-propyl-N-hexyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.193614428 u |
| Formula | C12H25NO |
| InChI | InChI=1S/C12H25NO/c1-4-7-8-9-11-13(10-5-2)12(14)6-3/h4-11H2,1-3H3 |
| InChIKey | JAKXZJVDMRBWCB-UHFFFAOYSA-N |
| Molecular Weight | 199.338 g/mol |
| SMILES | C(N(CCC)CCCCCC)(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983211 |