| SpectraBase Compound ID | 1h5wZ0pnbT0 |
|---|---|
| InChI | InChI=1S/C12H11NO4/c1-6-10(15)7-4-9(14)13(2)5-8(7)11(16)12(6)17-3/h4-5H,1-3H3 |
| InChIKey | BXQZTMMXFKFJIY-UHFFFAOYSA-N |
| Mol Weight | 233.22 g/mol |
| Molecular Formula | C12H11NO4 |
| Exact Mass | 233.068808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FTvS8skBgu9 |
|---|---|
| Name | Mimosamycin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.068807834 u |
| Formula | C12H11NO4 |
| InChI | InChI=1S/C12H11NO4/c1-6-10(15)7-4-9(14)13(2)5-8(7)11(16)12(6)17-3/h4-5H,1-3H3 |
| InChIKey | BXQZTMMXFKFJIY-UHFFFAOYSA-N |
| Molecular Weight | 233.223 g/mol |
| SMILES | C=1N(C(C=C2C1C(C(=C(C2=O)C)OC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.832212 |