| SpectraBase Compound ID | 1ILTRReCA0J |
|---|---|
| InChI | InChI=1S/C11H14ClNO2S/c1-2-16-8-7-13-11(14)15-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H,13,14) |
| InChIKey | MGPBHEGVCIDSIO-UHFFFAOYSA-N |
| Mol Weight | 259.75 g/mol |
| Molecular Formula | C11H14ClNO2S |
| Exact Mass | 259.043378 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPDYNjv7cvJ |
|---|---|
| Name | p-Chlorophenyl (2-(ethylthio)ethyl)carbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.043377567 u |
| Formula | C11H14ClNO2S |
| InChI | InChI=1S/C11H14ClNO2S/c1-2-16-8-7-13-11(14)15-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H,13,14) |
| InChIKey | MGPBHEGVCIDSIO-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)Cl)OC(=O)NCCSCC |