| SpectraBase Compound ID | 1T7XJeClMI1 |
|---|---|
| InChI | InChI=1S/C13H18ClNO2S/c1-2-3-9-18-10-8-15-13(16)17-12-6-4-11(14)5-7-12/h4-7H,2-3,8-10H2,1H3,(H,15,16) |
| InChIKey | JSXDMTIKICCNDV-UHFFFAOYSA-N |
| Mol Weight | 287.81 g/mol |
| Molecular Formula | C13H18ClNO2S |
| Exact Mass | 287.074678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IiB9b0e7anG |
|---|---|
| Name | p-Chlorophenyl (2-(butylthio)ethyl)carbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.074677696 u |
| Formula | C13H18ClNO2S |
| InChI | InChI=1S/C13H18ClNO2S/c1-2-3-9-18-10-8-15-13(16)17-12-6-4-11(14)5-7-12/h4-7H,2-3,8-10H2,1H3,(H,15,16) |
| InChIKey | JSXDMTIKICCNDV-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)Cl)OC(=O)NCCSCCCC |