| SpectraBase Compound ID | 6uHkViU6Ogq |
|---|---|
| InChI | InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)4-5-8/h4-5,8H2,1-3H3 |
| InChIKey | ZJXHVYSDMUKUCA-UHFFFAOYSA-N |
| Mol Weight | 145.2 g/mol |
| Molecular Formula | C7H15NO2 |
| Exact Mass | 145.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | fj6W9GcGy6 |
|---|---|
| Name | H-beta-ala-Otbu |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 145.110278725 u |
| Formula | C7H15NO2 |
| InChI | InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)4-5-8/h4-5,8H2,1-3H3 |
| InChIKey | ZJXHVYSDMUKUCA-UHFFFAOYSA-N |
| Molecular Weight | 145.202 g/mol |
| SMILES | C(CCN)(=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961846 |