| SpectraBase Compound ID | EHJ0KplYjc5 |
|---|---|
| InChI | InChI=1S/C10H5NOS/c11-6-7-5-10(12)13-9-4-2-1-3-8(7)9/h1-5H |
| InChIKey | CXHRHZZXBFPAEH-UHFFFAOYSA-N |
| Mol Weight | 187.22 g/mol |
| Molecular Formula | C10H5NOS |
| Exact Mass | 187.009185 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KtYqTBOg0dD |
|---|---|
| Name | 2-Ketothiochromene-4-carbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.009184958 u |
| Formula | C10H5NOS |
| InChI | InChI=1S/C10H5NOS/c11-6-7-5-10(12)13-9-4-2-1-3-8(7)9/h1-5H |
| InChIKey | CXHRHZZXBFPAEH-UHFFFAOYSA-N |
| Molecular Weight | 187.216 g/mol |
| SMILES | C1(=O)C=C(C=2C=CC=CC2S1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.822066 |