| SpectraBase Compound ID | 2moANIBv9XF |
|---|---|
| InChI | InChI=1S/C18H23NO5/c1-19-12-3-4-13(19)8-14(7-12)24-18(21)15(9-20)11-2-5-16-17(6-11)23-10-22-16/h2,5-6,12-15,20H,3-4,7-10H2,1H3 |
| InChIKey | WYKUGVGYORLFKN-UHFFFAOYSA-N |
| Mol Weight | 333.38 g/mol |
| Molecular Formula | C18H23NO5 |
| Exact Mass | 333.157623 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F1mwo5cAa1W |
|---|---|
| Name | 3,4-Methylenedioxyatropine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.157622840 u |
| Formula | C18H23NO5 |
| InChI | InChI=1S/C18H23NO5/c1-19-12-3-4-13(19)8-14(7-12)24-18(21)15(9-20)11-2-5-16-17(6-11)23-10-22-16/h2,5-6,12-15,20H,3-4,7-10H2,1H3 |
| InChIKey | WYKUGVGYORLFKN-UHFFFAOYSA-N |
| Molecular Weight | 333.384 g/mol |
| SMILES | C12=C(C=CC(=C2)C(CO)C(OC2CC3N(C(C2)CC3)C)=O)OCO1 |