| SpectraBase Compound ID | IuyncwjiPWD |
|---|---|
| InChI | InChI=1S/C8H5N3/c9-6-11(7-10)8-4-2-1-3-5-8/h1-5H |
| InChIKey | FCFXSHWIQVTCQE-UHFFFAOYSA-N |
| Mol Weight | 143.15 g/mol |
| Molecular Formula | C8H5N3 |
| Exact Mass | 143.048347 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ALMMj7F0RKJ |
|---|---|
| Name | Phenyldicyanoamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 143.048347173 u |
| Formula | C8H5N3 |
| InChI | InChI=1S/C8H5N3/c9-6-11(7-10)8-4-2-1-3-5-8/h1-5H |
| InChIKey | FCFXSHWIQVTCQE-UHFFFAOYSA-N |
| Molecular Weight | 143.149 g/mol |
| SMILES | C=1C(=CC=CC1)N(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854957 |