| SpectraBase Compound ID | 8JHCDdr7Ntw |
|---|---|
| InChI | InChI=1S/C9H11NOS/c1-7-2-4-8(5-3-7)10-9(11)6-12/h2-5,12H,6H2,1H3,(H,10,11) |
| InChIKey | VLDODKDSYUJVAK-UHFFFAOYSA-N |
| Mol Weight | 181.25 g/mol |
| Molecular Formula | C9H11NOS |
| Exact Mass | 181.056135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JCCbR1Cp4Mq |
|---|---|
| Name | 2-Mercapto-p-acetotoluidide |
| 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/c1-7-2-4-8(5-3-7)10-9(11)6-12/h2-5,12H,6H2,1H3,(H,10,11) |
| InChIKey | VLDODKDSYUJVAK-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C=C1)C)C(CS)=O |