| SpectraBase Compound ID | DXKvaOmMJnL |
|---|---|
| InChI | InChI=1S/C18H21NO4/c1-21-16-10-15(8-9-19-13-20)11-17(22-2)18(16)23-12-14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,19,20) |
| InChIKey | UIPNMIACTGXQOQ-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 | 5l0QQA5951B |
|---|---|
| Name | bn Form |
| 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/c1-21-16-10-15(8-9-19-13-20)11-17(22-2)18(16)23-12-14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,19,20) |
| InChIKey | UIPNMIACTGXQOQ-UHFFFAOYSA-N |
| SMILES | C1(=C(C=C(C=C1OC)CCNC=O)OC)OCC1=CC=CC=C1 |