| SpectraBase Compound ID | FGl3I7rC75N |
|---|---|
| InChI | InChI=1S/C9H11NOS/c1-7-3-5-8(6-4-7)10-9(11)12-2/h3-6H,1-2H3,(H,10,11) |
| InChIKey | AJEXMXBENVVQRF-UHFFFAOYSA-N |
| Mol Weight | 181.25 g/mol |
| Molecular Formula | C9H11NOS |
| Exact Mass | 181.056135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9mPg7zt6tOl |
|---|---|
| Name | S-Methyl 4-tolylcarbamothioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.056135151 u |
| Formula | C9H11NOS |
| InChI | InChI=1S/C9H11NOS/c1-7-3-5-8(6-4-7)10-9(11)12-2/h3-6H,1-2H3,(H,10,11) |
| InChIKey | AJEXMXBENVVQRF-UHFFFAOYSA-N |
| Molecular Weight | 181.253 g/mol |
| SMILES | C(NC=1C=CC(=CC1)C)(=O)SC |