![1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-G]isoquinolin-5-yl)-2-butanone](/api/spectrum/71DS2fI6OqZ/structure.png?h=300&w=458 "1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-G]isoquinolin-5-yl)-2-butanone")
| SpectraBase Compound ID | 6LL1hiquD2X |
|---|---|
| InChI | InChI=1S/C16H21NO4/c1-4-11(18)8-12-14-10(5-6-17(12)2)7-13-15(16(14)19-3)21-9-20-13/h7,12H,4-6,8-9H2,1-3H3 |
| InChIKey | VNDOKZKDYHGNCW-UHFFFAOYSA-N |
| Mol Weight | 291.35 g/mol |
| Molecular Formula | C16H21NO4 |
| Exact Mass | 291.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 71DS2fI6OqZ |
|---|---|
| Name | 1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-G]isoquinolin-5-yl)-2-butanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.147058156 u |
| Formula | C16H21NO4 |
| InChI | InChI=1S/C16H21NO4/c1-4-11(18)8-12-14-10(5-6-17(12)2)7-13-15(16(14)19-3)21-9-20-13/h7,12H,4-6,8-9H2,1-3H3 |
| InChIKey | VNDOKZKDYHGNCW-UHFFFAOYSA-N |
| SMILES | C=12C(N(C)CCC2=CC=2OCOC2C1OC)CC(=O)CC |