| SpectraBase Compound ID | CE1y1ebl4WO |
|---|---|
| InChI | InChI=1S/C11H19NO2/c1-3-14-11(13)9-10-7-5-4-6-8-12(10)2/h9H,3-8H2,1-2H3 |
| InChIKey | GJRUPWYYNSNNFK-UHFFFAOYSA-N |
| Mol Weight | 197.28 g/mol |
| Molecular Formula | C11H19NO2 |
| Exact Mass | 197.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Lj8UHUHF31 |
|---|---|
| Name | Hexahydro-1-methyl-2H-azepine-deltasquare, alpha-acetic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.141578854 u |
| Formula | C11H19NO2 |
| InChI | InChI=1S/C11H19NO2/c1-3-14-11(13)9-10-7-5-4-6-8-12(10)2/h9H,3-8H2,1-2H3 |
| InChIKey | GJRUPWYYNSNNFK-UHFFFAOYSA-N |
| Molecular Weight | 197.278 g/mol |
| SMILES | C1CCC(N(CC1)C)=CC(OCC)=O |