| SpectraBase Compound ID | 15vbowonh6K |
|---|---|
| InChI | InChI=1S/C17H21NO4/c1-20-15-11-8-18-5-4-17(3-2-10(19)6-14(17)18)12(11)7-13-16(15)22-9-21-13/h7,10,14,19H,2-6,8-9H2,1H3/t10?,14?,17-/m1/s1 |
| InChIKey | BYIVXRUZAMYOPQ-BDSCKGBASA-N |
| Mol Weight | 303.36 g/mol |
| Molecular Formula | C17H21NO4 |
| Exact Mass | 303.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JzbgQpxvMoc |
|---|---|
| Name | Powelline, 1,2-dihydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.147058156 u |
| Formula | C17H21NO4 |
| InChI | InChI=1S/C17H21NO4/c1-20-15-11-8-18-5-4-17(3-2-10(19)6-14(17)18)12(11)7-13-16(15)22-9-21-13/h7,10,14,19H,2-6,8-9H2,1H3/t10?,14?,17-/m1/s1 |
| InChIKey | BYIVXRUZAMYOPQ-BDSCKGBASA-N |
| SMILES | C12=C(C3=C(C=C2[C@@]24C(N(C1)CC4)CC(O)CC2)OCO3)OC |