| SpectraBase Compound ID | LelWHRTitXp |
|---|---|
| InChI | InChI=1S/C7H14N2O2/c1-4-6(7(11)8-3)9-5(2)10/h6H,4H2,1-3H3,(H,8,11)(H,9,10) |
| InChIKey | RLEMBFQMTNKTMZ-UHFFFAOYSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C7H14N2O2 |
| Exact Mass | 158.105528 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jm8pVj4u5oz |
|---|---|
| Name | 2-Acetamido-N-methylbutyramide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.105527697 u |
| Formula | C7H14N2O2 |
| InChI | InChI=1S/C7H14N2O2/c1-4-6(7(11)8-3)9-5(2)10/h6H,4H2,1-3H3,(H,8,11)(H,9,10) |
| InChIKey | RLEMBFQMTNKTMZ-UHFFFAOYSA-N |
| Molecular Weight | 158.201 g/mol |
| SMILES | CCC(C(NC)=O)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94262 |