| SpectraBase Compound ID | LZROPQiDmlc |
|---|---|
| InChI | InChI=1S/C8H6N2O3/c11-7-9-10(8(12)13-7)6-4-2-1-3-5-6/h1-5H,(H,9,11) |
| InChIKey | CRFNMQCEGIASEL-UHFFFAOYSA-N |
| Mol Weight | 178.15 g/mol |
| Molecular Formula | C8H6N2O3 |
| Exact Mass | 178.037842 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BmSO8wFvZxQ |
|---|---|
| Name | 3-Phenyl-1,3,4-oxadiazolidine-2,5-dio |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.037842058 u |
| Formula | C8H6N2O3 |
| InChI | InChI=1S/C8H6N2O3/c11-7-9-10(8(12)13-7)6-4-2-1-3-5-6/h1-5H,(H,9,11) |
| InChIKey | CRFNMQCEGIASEL-UHFFFAOYSA-N |
| SMILES | C1(N(NC(O1)=O)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960147 |