| SpectraBase Compound ID | 6YdzehnY8yw |
|---|---|
| InChI | InChI=1S/C21H24N2O3/c1-15(24)23(14-17-6-4-5-7-21(17)26-3)11-10-16-13-22-20-9-8-18(25-2)12-19(16)20/h4-9,12-13,22H,10-11,14H2,1-3H3 |
| InChIKey | DERSIJHGDIBFQA-UHFFFAOYSA-N |
| Mol Weight | 352.43 g/mol |
| Molecular Formula | C21H24N2O3 |
| Exact Mass | 352.178693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2WImVxHMsM5 |
|---|---|
| Name | 5mt-Nb2Ome ac P1222 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.178692638 u |
| Formula | C21H24N2O3 |
| InChI | InChI=1S/C21H24N2O3/c1-15(24)23(14-17-6-4-5-7-21(17)26-3)11-10-16-13-22-20-9-8-18(25-2)12-19(16)20/h4-9,12-13,22H,10-11,14H2,1-3H3 |
| InChIKey | DERSIJHGDIBFQA-UHFFFAOYSA-N |
| Molecular Weight | 352.434 g/mol |
| SMILES | C1(=CC=C2NC=C(C2=C1)CCN(CC1=C(C=CC=C1)OC)C(=O)C)OC |