| SpectraBase Compound ID | 4rUpgLj41ZG |
|---|---|
| InChI | InChI=1S/C10H8O2S/c1-6-4-10(11)12-9-5-7(13)2-3-8(6)9/h2-5,13H,1H3 |
| InChIKey | BYDNGJQDDNBAHI-UHFFFAOYSA-N |
| Mol Weight | 192.23 g/mol |
| Molecular Formula | C10H8O2S |
| Exact Mass | 192.024501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5BZyDNRoY6V |
|---|---|
| Name | 7-Mercapto-4-methylcoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.024500670 u |
| Formula | C10H8O2S |
| InChI | InChI=1S/C10H8O2S/c1-6-4-10(11)12-9-5-7(13)2-3-8(6)9/h2-5,13H,1H3 |
| InChIKey | BYDNGJQDDNBAHI-UHFFFAOYSA-N |
| Molecular Weight | 192.232 g/mol |
| SMILES | C1(S)=CC2=C(C=C1)C(=CC(O2)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943594 |