| SpectraBase Compound ID | AJurBdRvKV0 |
|---|---|
| InChI | InChI=1S/C10H10N2O2/c13-9-6-12(7-10(14)11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,13,14) |
| InChIKey | MXXYUYGNYVTHOX-UHFFFAOYSA-N |
| Mol Weight | 190.2 g/mol |
| Molecular Formula | C10H10N2O2 |
| Exact Mass | 190.074228 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hi2NszA4kso |
|---|---|
| Name | 2,6-Piperazinedione, 4-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.074227568 u |
| Formula | C10H10N2O2 |
| InChI | InChI=1S/C10H10N2O2/c13-9-6-12(7-10(14)11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,13,14) |
| InChIKey | MXXYUYGNYVTHOX-UHFFFAOYSA-N |
| Molecular Weight | 190.202 g/mol |
| SMILES | C1C(NC(CN1C1=CC=CC=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947771 |