| SpectraBase Compound ID | Dww7Vd6qBQr |
|---|---|
| InChI | InChI=1S/C10H9NS/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-6H2 |
| InChIKey | BHTXVWDNWFMDQY-UHFFFAOYSA-N |
| Mol Weight | 175.25 g/mol |
| Molecular Formula | C10H9NS |
| Exact Mass | 175.04557 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6jKMDNBRaKf |
|---|---|
| Name | 3,4-Dihydro-2H-1-benzothiopyran-4-carbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.045570468 u |
| Formula | C10H9NS |
| InChI | InChI=1S/C10H9NS/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-6H2 |
| InChIKey | BHTXVWDNWFMDQY-UHFFFAOYSA-N |
| Molecular Weight | 175.249 g/mol |
| SMILES | C(#N)C1C=2C(=CC=CC2)SCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938584 |