| SpectraBase Compound ID | HyXNtnpkdv1 |
|---|---|
| InChI | InChI=1S/C5H11NO/c1-5(2)3-6-4-7/h4-5H,3H2,1-2H3,(H,6,7) |
| InChIKey | XCTTVNSXEHWZBI-UHFFFAOYSA-N |
| Mol Weight | 101.15 g/mol |
| Molecular Formula | C5H11NO |
| Exact Mass | 101.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 48cesHt4Ags |
|---|---|
| Name | S-Trans-N-(2-methylpropyl)-formamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 101.084063977 u |
| Formula | C5H11NO |
| InChI | InChI=1S/C5H11NO/c1-5(2)3-6-4-7/h4-5H,3H2,1-2H3,(H,6,7) |
| InChIKey | XCTTVNSXEHWZBI-UHFFFAOYSA-N |
| Molecular Weight | 101.149 g/mol |
| SMILES | C(=O)NCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868576 |