| SpectraBase Compound ID | 9dPgPlLKfI4 |
|---|---|
| InChI | InChI=1S/C21H17N3O2/c25-19-7-3-5-17-14(13-24-21(17)19)8-9-20(26)22-11-10-15-12-23-18-6-2-1-4-16(15)18/h1-13,23-25H,(H,22,26)/b9-8-,11-10- |
| InChIKey | NAQAXMIVPGGWLA-XESWYYRISA-N |
| Mol Weight | 343.39 g/mol |
| Molecular Formula | C21H17N3O2 |
| Exact Mass | 343.132077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LQjzwvGLS1I |
|---|---|
| Name | Chondriamide B |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.132076797 u |
| Formula | C21H17N3O2 |
| InChI | InChI=1S/C21H17N3O2/c25-19-7-3-5-17-14(13-24-21(17)19)8-9-20(26)22-11-10-15-12-23-18-6-2-1-4-16(15)18/h1-13,23-25H,(H,22,26)/b9-8-,11-10- |
| InChIKey | NAQAXMIVPGGWLA-XESWYYRISA-N |
| Molecular Weight | 343.386 g/mol |
| SMILES | C=12NC=C(C2=CC=CC1O)\C=C/C(N\C=C/C1=CNC2=C1C=CC=C2)=O |