| SpectraBase Compound ID | 8kyEuVTxk9K |
|---|---|
| InChI | InChI=1S/C17H23NO5/c1-5-6-14-9-17(23-13(4)21)15(7-8-18-11(2)19)10-16(14)22-12(3)20/h9-10H,5-8H2,1-4H3,(H,18,19) |
| InChIKey | LPBUYGUAYPOSTI-UHFFFAOYSA-N |
| Mol Weight | 321.37 g/mol |
| Molecular Formula | C17H23NO5 |
| Exact Mass | 321.157623 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbkDzil7luG |
|---|---|
| Name | 2C-p-m (bis-o-Demethyl-) 3ac P1040 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.157622840 u |
| Formula | C17H23NO5 |
| InChI | InChI=1S/C17H23NO5/c1-5-6-14-9-17(23-13(4)21)15(7-8-18-11(2)19)10-16(14)22-12(3)20/h9-10H,5-8H2,1-4H3,(H,18,19) |
| InChIKey | LPBUYGUAYPOSTI-UHFFFAOYSA-N |
| Molecular Weight | 321.373 g/mol |
| SMILES | C=1(OC(C)=O)C=C(C(=CC1CCC)OC(C)=O)CCNC(=O)C |