| SpectraBase Compound ID | 4g7dIhc0XxC |
|---|---|
| InChI | InChI=1S/C10H6O2S/c11-6-7-5-9(12)8-3-1-2-4-10(8)13-7/h1-6H |
| InChIKey | GOSPINAKWRESOQ-UHFFFAOYSA-N |
| Mol Weight | 190.22 g/mol |
| Molecular Formula | C10H6O2S |
| Exact Mass | 190.008851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ijq7RVWLNJE |
|---|---|
| Name | 4-Ketothiochromene-2-carbaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.008850605 u |
| Formula | C10H6O2S |
| InChI | InChI=1S/C10H6O2S/c11-6-7-5-9(12)8-3-1-2-4-10(8)13-7/h1-6H |
| InChIKey | GOSPINAKWRESOQ-UHFFFAOYSA-N |
| Molecular Weight | 190.216 g/mol |
| SMILES | C1(C=C(C=O)SC2=C1C=CC=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.828553 |