| SpectraBase Compound ID | 2lDooqcuD9f |
|---|---|
| InChI | InChI=1S/C14H13NO2S/c1-17-14(16)10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)15/h2-9H,15H2,1H3 |
| InChIKey | QXBFUIGOTAJIBQ-UHFFFAOYSA-N |
| Mol Weight | 259.32 g/mol |
| Molecular Formula | C14H13NO2S |
| Exact Mass | 259.0667 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7S5FH0loFvi |
|---|---|
| Name | Methyl 2-(o-aminophenylthio)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.066699835 u |
| Formula | C14H13NO2S |
| InChI | InChI=1S/C14H13NO2S/c1-17-14(16)10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)15/h2-9H,15H2,1H3 |
| InChIKey | QXBFUIGOTAJIBQ-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC=C1)C(OC)=O)SC1=CC=CC=C1N |