| SpectraBase Compound ID | Ex7dIGIFivD |
|---|---|
| InChI | InChI=1S/C13H25NO/c1-13(2,3)12(15)8-11-14-9-6-4-5-7-10-14/h4-11H2,1-3H3 |
| InChIKey | PWCOVTDCSAVPDH-UHFFFAOYSA-N |
| Mol Weight | 211.35 g/mol |
| Molecular Formula | C13H25NO |
| Exact Mass | 211.193614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HeYjsnK5PdT |
|---|---|
| Name | Pentan-3-one, 1-(1-perhydroazepinyl)-4,4-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.193614428 u |
| Formula | C13H25NO |
| InChI | InChI=1S/C13H25NO/c1-13(2,3)12(15)8-11-14-9-6-4-5-7-10-14/h4-11H2,1-3H3 |
| InChIKey | PWCOVTDCSAVPDH-UHFFFAOYSA-N |
| Molecular Weight | 211.349 g/mol |
| SMILES | C1CCCN(CC1)CCC(C(C)(C)C)=O |