| SpectraBase Compound ID | 5FmW2j34UYv |
|---|---|
| InChI | InChI=1S/C17H14N2O2/c1-2-15-16(20)18(13-9-5-3-6-10-13)19(17(15)21)14-11-7-4-8-12-14/h2-12,15H,1H2 |
| InChIKey | XQXRHBRFXPXLLU-UHFFFAOYSA-N |
| Mol Weight | 278.31 g/mol |
| Molecular Formula | C17H14N2O2 |
| Exact Mass | 278.105528 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8L64PyWIU6l |
|---|---|
| Name | Sulfinpyrazone-artifact 5 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.105527697 u |
| Formula | C17H14N2O2 |
| InChI | InChI=1S/C17H14N2O2/c1-2-15-16(20)18(13-9-5-3-6-10-13)19(17(15)21)14-11-7-4-8-12-14/h2-12,15H,1H2 |
| InChIKey | XQXRHBRFXPXLLU-UHFFFAOYSA-N |
| SMILES | c1ccc(cc1)N1N(C(C(C1=O)C=C)=O)c1ccccc1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932788 |