| SpectraBase Compound ID | XGmH9jktv7 |
|---|---|
| InChI | InChI=1S/C18H25NO2/c1-15-11-13-16(14-12-15)19-17(20)9-7-5-3-2-4-6-8-10-18(19)21/h11-14H,2-10H2,1H3 |
| InChIKey | PXGSJTNPXHQCHH-UHFFFAOYSA-N |
| Mol Weight | 287.4 g/mol |
| Molecular Formula | C18H25NO2 |
| Exact Mass | 287.188529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AgwmYbQn9VI |
|---|---|
| Name | 1-(4'-Tolyl)-1-azacyclododecane-2,12-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.188529047 u |
| Formula | C18H25NO2 |
| InChI | InChI=1S/C18H25NO2/c1-15-11-13-16(14-12-15)19-17(20)9-7-5-3-2-4-6-8-10-18(19)21/h11-14H,2-10H2,1H3 |
| InChIKey | PXGSJTNPXHQCHH-UHFFFAOYSA-N |
| Molecular Weight | 287.403 g/mol |
| SMILES | C1(N(C(CCCCCCCCC1)=O)C=1C=CC(=CC1)C)=O |