![[1,2,4]Triazolidine-3,5-dione, 4-(3-chlorophenyl)-](/api/spectrum/7C5UhI8hzI4/structure.png?h=300&w=458 "[1,2,4]Triazolidine-3,5-dione, 4-(3-chlorophenyl)-")
| SpectraBase Compound ID | FbB4mrk8LnO |
|---|---|
| InChI | InChI=1S/C8H6ClN3O2/c9-5-2-1-3-6(4-5)12-7(13)10-11-8(12)14/h1-4H,(H,10,13)(H,11,14) |
| InChIKey | ZTIVJMZLPRIKKR-UHFFFAOYSA-N |
| Mol Weight | 211.61 g/mol |
| Molecular Formula | C8H6ClN3O2 |
| Exact Mass | 211.014854 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7C5UhI8hzI4 |
|---|---|
| Name | [1,2,4]Triazolidine-3,5-dione, 4-(3-chlorophenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.014854143 u |
| Formula | C8H6ClN3O2 |
| InChI | InChI=1S/C8H6ClN3O2/c9-5-2-1-3-6(4-5)12-7(13)10-11-8(12)14/h1-4H,(H,10,13)(H,11,14) |
| InChIKey | ZTIVJMZLPRIKKR-UHFFFAOYSA-N |
| SMILES | C1=CC=C(N2C(NNC2=O)=O)C=C1Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922921 |