| SpectraBase Compound ID | 1UDqDr13drG |
|---|---|
| InChI | InChI=1S/C21H23N3O2/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-16-20(26)24-11-7-10-17(24)19(25)23-16/h4-9,11,16-17,22H,1,10,12H2,2-3H3,(H,23,25) |
| InChIKey | RWMTUDBIQALYNN-UHFFFAOYSA-N |
| Mol Weight | 349.43 g/mol |
| Molecular Formula | C21H23N3O2 |
| Exact Mass | 349.179027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJsGNQHxZTr |
|---|---|
| Name | Dehydrodeoxybrevianamide E |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.179026991 u |
| Formula | C21H23N3O2 |
| InChI | InChI=1S/C21H23N3O2/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-16-20(26)24-11-7-10-17(24)19(25)23-16/h4-9,11,16-17,22H,1,10,12H2,2-3H3,(H,23,25) |
| InChIKey | RWMTUDBIQALYNN-UHFFFAOYSA-N |
| Molecular Weight | 349.434 g/mol |
| SMILES | C1(=C(NC=2C1=CC=CC2)C(C=C)(C)C)CC1C(N2C=CCC2C(N1)=O)=O |