| SpectraBase Compound ID | 5zX0gRjidG9 |
|---|---|
| InChI | InChI=1S/C10H12O2S/c1-3-12-10(13)8-4-6-9(11-2)7-5-8/h4-7H,3H2,1-2H3 |
| InChIKey | XGTDQQJGLPCUSD-UHFFFAOYSA-N |
| Mol Weight | 196.26 g/mol |
| Molecular Formula | C10H12O2S |
| Exact Mass | 196.055801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | TeljP7ZsZ4 |
|---|---|
| Name | Benzenecarbothioic acid, 4-methoxy-, o-ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.055800798 u |
| Formula | C10H12O2S |
| InChI | InChI=1S/C10H12O2S/c1-3-12-10(13)8-4-6-9(11-2)7-5-8/h4-7H,3H2,1-2H3 |
| InChIKey | XGTDQQJGLPCUSD-UHFFFAOYSA-N |
| Molecular Weight | 196.264 g/mol |
| SMILES | C(C1=CC=C(C=C1)OC)(=S)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923367 |