| SpectraBase Compound ID | 5Gr9PpyU4Uz |
|---|---|
| InChI | InChI=1S/C15H11NO2/c17-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-15(14)18/h1-9,17H,(H,16,18) |
| InChIKey | QSRVMXWVVMILDI-UHFFFAOYSA-N |
| Mol Weight | 237.26 g/mol |
| Molecular Formula | C15H11NO2 |
| Exact Mass | 237.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1dKHkWohL8v |
|---|---|
| Name | Viridicatin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.078978596 u |
| Formula | C15H11NO2 |
| InChI | InChI=1S/C15H11NO2/c17-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-15(14)18/h1-9,17H,(H,16,18) |
| InChIKey | QSRVMXWVVMILDI-UHFFFAOYSA-N |
| Molecular Weight | 237.258 g/mol |
| SMILES | C=1(C2=C(NC(C1O)=O)C=CC=C2)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.81788 |