| SpectraBase Compound ID | 9uIDD0HVMlT |
|---|---|
| InChI | InChI=1S/C16H11NO2/c18-15-10-14(17-11-6-2-1-3-7-11)16(19)13-9-5-4-8-12(13)15/h1-10,17H |
| InChIKey | OPECBHGHSFBITB-UHFFFAOYSA-N |
| Mol Weight | 249.27 g/mol |
| Molecular Formula | C16H11NO2 |
| Exact Mass | 249.078979 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | L3eywXA2Qm7 |
|---|---|
| Name | 2-Anilino-1,4-naphthoquinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.078978596 u |
| Formula | C16H11NO2 |
| InChI | InChI=1S/C16H11NO2/c18-15-10-14(17-11-6-2-1-3-7-11)16(19)13-9-5-4-8-12(13)15/h1-10,17H |
| InChIKey | OPECBHGHSFBITB-UHFFFAOYSA-N |
| Molecular Weight | 249.269 g/mol |
| SMILES | N(C1=CC(C=2C=CC=CC2C1=O)=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.733134 |