| SpectraBase Compound ID | 141qMVp6snO |
|---|---|
| InChI | InChI=1S/C22H28N2O4/c1-4-13-11-24-8-7-15-17-9-14(27-2)5-6-19(17)23-21(15)20(24)10-16(13)18(12-25)22(26)28-3/h4-6,9,16,18,20,23,25H,7-8,10-12H2,1-3H3/b13-4-/t16-,18?,20-/m0/s1 |
| InChIKey | IAVREAPWQOFQCX-GKABJHIISA-N |
| Mol Weight | 384.48 g/mol |
| Molecular Formula | C22H28N2O4 |
| Exact Mass | 384.204907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JsJmn73rEFt |
|---|---|
| Name | 10-Methoxy-iso-sitsirikine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.204907386 u |
| Formula | C22H28N2O4 |
| InChI | InChI=1S/C22H28N2O4/c1-4-13-11-24-8-7-15-17-9-14(27-2)5-6-19(17)23-21(15)20(24)10-16(13)18(12-25)22(26)28-3/h4-6,9,16,18,20,23,25H,7-8,10-12H2,1-3H3/b13-4-/t16-,18?,20-/m0/s1 |
| InChIKey | IAVREAPWQOFQCX-GKABJHIISA-N |
| Molecular Weight | 384.476 g/mol |
| SMILES | C12=C(C3=CC(OC)=CC=C3N2)CCN2[C@]1(C[C@@](\C(=C/C)C2)(C(C(=O)OC)CO)[H])[H] |