| SpectraBase Compound ID | DwJHMZdtXIC |
|---|---|
| InChI | InChI=1S/C20H21BrN2O2/c1-14(24)23(13-15-3-5-17(21)6-4-15)10-9-16-12-22-20-8-7-18(25-2)11-19(16)20/h3-8,11-12,22H,9-10,13H2,1-2H3 |
| InChIKey | MWUQKPOOHJXANG-UHFFFAOYSA-N |
| Mol Weight | 401.3 g/mol |
| Molecular Formula | C20H21BrN2O2 |
| Exact Mass | 400.078641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2y93AnzYdZ4 |
|---|---|
| Name | 5mt-Nb4B ac P1445 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.078640922 u |
| Formula | C20H21BrN2O2 |
| InChI | InChI=1S/C20H21BrN2O2/c1-14(24)23(13-15-3-5-17(21)6-4-15)10-9-16-12-22-20-8-7-18(25-2)11-19(16)20/h3-8,11-12,22H,9-10,13H2,1-2H3 |
| InChIKey | MWUQKPOOHJXANG-UHFFFAOYSA-N |
| Molecular Weight | 401.304 g/mol |
| SMILES | C1(=CC=C2NC=C(C2=C1)CCN(CC1=CC=C(C=C1)Br)C(=O)C)OC |