| SpectraBase Compound ID | EIR7lSZPsPD |
|---|---|
| InChI | InChI=1S/C11H19NO2/c1-11(2,3)10(14)12-8-6-4-5-7-9(12)13/h4-8H2,1-3H3 |
| InChIKey | ZSDKTGNWEFAMGT-UHFFFAOYSA-N |
| Mol Weight | 197.28 g/mol |
| Molecular Formula | C11H19NO2 |
| Exact Mass | 197.141579 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IELf78qt9NI |
|---|---|
| Name | 2H-Azepin-2-one, hexahydro-1-pivaloyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.141578854 u |
| Formula | C11H19NO2 |
| InChI | InChI=1S/C11H19NO2/c1-11(2,3)10(14)12-8-6-4-5-7-9(12)13/h4-8H2,1-3H3 |
| InChIKey | ZSDKTGNWEFAMGT-UHFFFAOYSA-N |
| Molecular Weight | 197.278 g/mol |
| SMILES | C1CC(N(CCC1)C(C(C)(C)C)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.949307 |