| SpectraBase Compound ID | 9LoDfY2kQL5 |
|---|---|
| InChI | InChI=1S/C14H13N3O2/c1-16-12(13(18)17(2)14(16)19)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,15H,1-2H3/b12-7- |
| InChIKey | WUQMPTDEQHJERM-GHXNOFRVSA-N |
| Mol Weight | 255.28 g/mol |
| Molecular Formula | C14H13N3O2 |
| Exact Mass | 255.100777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IBBQ0VSQSvS |
|---|---|
| Name | 3'-Deimino-3'-oxoaplysinopsin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.100776669 u |
| Formula | C14H13N3O2 |
| InChI | InChI=1S/C14H13N3O2/c1-16-12(13(18)17(2)14(16)19)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,15H,1-2H3/b12-7- |
| InChIKey | WUQMPTDEQHJERM-GHXNOFRVSA-N |
| Molecular Weight | 255.277 g/mol |
| SMILES | C1(N(C(\C(N1C)=C\C1=CNC2=C1C=CC=C2)=O)C)=O |