| SpectraBase Compound ID | S0YFnYzPn |
|---|---|
| InChI | InChI=1S/C8H6N2O2/c11-8-10(9-6-12-8)7-4-2-1-3-5-7/h1-6H |
| InChIKey | UHGSXJOONHIRAJ-UHFFFAOYSA-N |
| Mol Weight | 162.15 g/mol |
| Molecular Formula | C8H6N2O2 |
| Exact Mass | 162.042927 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3s1ReIfzYOB |
|---|---|
| Name | 3-Phenyl-1,3,4-oxadiazol-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.042927439 u |
| Formula | C8H6N2O2 |
| InChI | InChI=1S/C8H6N2O2/c11-8-10(9-6-12-8)7-4-2-1-3-5-7/h1-6H |
| InChIKey | UHGSXJOONHIRAJ-UHFFFAOYSA-N |
| Molecular Weight | 162.148 g/mol |
| SMILES | C1(N(N=CO1)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858176 |