| SpectraBase Compound ID | 4asuvBtzEs6 |
|---|---|
| InChI | InChI=1S/C8H16N2O2/c1-4-5-7(8(12)9-3)10-6(2)11/h7H,4-5H2,1-3H3,(H,9,12)(H,10,11) |
| InChIKey | SKSIAIMVWBILBT-UHFFFAOYSA-N |
| Mol Weight | 172.23 g/mol |
| Molecular Formula | C8H16N2O2 |
| Exact Mass | 172.121178 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KcobEFsGS4J |
|---|---|
| Name | N-Acetylnorvaline methylamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.121177761 u |
| Formula | C8H16N2O2 |
| InChI | InChI=1S/C8H16N2O2/c1-4-5-7(8(12)9-3)10-6(2)11/h7H,4-5H2,1-3H3,(H,9,12)(H,10,11) |
| InChIKey | SKSIAIMVWBILBT-UHFFFAOYSA-N |
| Molecular Weight | 172.228 g/mol |
| SMILES | CC(NC(C(NC)=O)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970733 |