| SpectraBase Compound ID | BCj4VOSotP8 |
|---|---|
| InChI | InChI=1S/C18H13NO3/c1-19-13-9-10-5-3-4-6-11(10)16-14(22-2)8-7-12(15(13)16)17(20)18(19)21/h3-9H,1-2H3 |
| InChIKey | VGQBXSIGVURYAG-UHFFFAOYSA-N |
| Mol Weight | 291.31 g/mol |
| Molecular Formula | C18H13NO3 |
| Exact Mass | 291.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LLWbTW6b9l7 |
|---|---|
| Name | 2-Demethoxycepharadione B |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.089543280 u |
| Formula | C18H13NO3 |
| InChI | InChI=1S/C18H13NO3/c1-19-13-9-10-5-3-4-6-11(10)16-14(22-2)8-7-12(15(13)16)17(20)18(19)21/h3-9H,1-2H3 |
| InChIKey | VGQBXSIGVURYAG-UHFFFAOYSA-N |
| SMILES | C1(N(C2=C3C(C1=O)=CC=C(C3=C1C(=C2)C=CC=C1)OC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856634 |