| SpectraBase Compound ID | 9x8GoPhOigG |
|---|---|
| InChI | InChI=1S/C18H21NO4/c1-18(2)22-16(20)15(17(21)23-18)14-10-6-7-11-19(14)12-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3 |
| InChIKey | MOXURLYXUJYURB-UHFFFAOYSA-N |
| Mol Weight | 315.37 g/mol |
| Molecular Formula | C18H21NO4 |
| Exact Mass | 315.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ELEILwcoxtn |
|---|---|
| Name | 5-(1-Benzyl-2-piperidylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.147058156 u |
| Formula | C18H21NO4 |
| InChI | InChI=1S/C18H21NO4/c1-18(2)22-16(20)15(17(21)23-18)14-10-6-7-11-19(14)12-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3 |
| InChIKey | MOXURLYXUJYURB-UHFFFAOYSA-N |
| SMILES | C1(C(OC(OC1=O)(C)C)=O)=C1N(CC=2C=CC=CC2)CCCC1 |