| SpectraBase Compound ID | GcmSiqLW4fO |
|---|---|
| InChI | InChI=1S/C12H15NO2S/c13-12(15)10-6-2-3-7-11(10)16-9-5-1-4-8-14/h2-3,6-8H,1,4-5,9H2,(H2,13,15) |
| InChIKey | FMLMPDQDTZVNFH-UHFFFAOYSA-N |
| Mol Weight | 237.32 g/mol |
| Molecular Formula | C12H15NO2S |
| Exact Mass | 237.08235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ChTW5CZq5ZL |
|---|---|
| Name | 2-(5-Ketopentylthio)benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.082349899 u |
| Formula | C12H15NO2S |
| InChI | InChI=1S/C12H15NO2S/c13-12(15)10-6-2-3-7-11(10)16-9-5-1-4-8-14/h2-3,6-8H,1,4-5,9H2,(H2,13,15) |
| InChIKey | FMLMPDQDTZVNFH-UHFFFAOYSA-N |
| Molecular Weight | 237.317 g/mol |
| SMILES | C=1(C(=O)N)C(SCCCCC=O)=CC=CC1 |