| SpectraBase Compound ID | EmUS7IGycKi |
|---|---|
| InChI | InChI=1S/C14H13NO2S/c1-17-10-6-8-11(9-7-10)18-14(16)12-4-2-3-5-13(12)15/h2-9H,15H2,1H3 |
| InChIKey | OGVZXLWDDKBUSZ-UHFFFAOYSA-N |
| Mol Weight | 259.32 g/mol |
| Molecular Formula | C14H13NO2S |
| Exact Mass | 259.0667 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AUysFc1KkvM |
|---|---|
| Name | S-4-Methoxyphenyl 2-aminobenzothioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.066699835 u |
| Formula | C14H13NO2S |
| InChI | InChI=1S/C14H13NO2S/c1-17-10-6-8-11(9-7-10)18-14(16)12-4-2-3-5-13(12)15/h2-9H,15H2,1H3 |
| InChIKey | OGVZXLWDDKBUSZ-UHFFFAOYSA-N |
| SMILES | C(C1=C(N)C=CC=C1)(SC1=CC=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830551 |