| SpectraBase Compound ID | Aj5wPgxUrFS |
|---|---|
| InChI | InChI=1S/C12H16ClNOS2/c1-14(2)12(16)17-9-3-8-15-11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3 |
| InChIKey | LEIRBEBZAXMYGC-UHFFFAOYSA-N |
| Mol Weight | 289.84 g/mol |
| Molecular Formula | C12H16ClNOS2 |
| Exact Mass | 289.036184 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2zY0zu6yVeJ |
|---|---|
| Name | Dimethyldithiocarbamic acid, 3-(p-chlorophenoxy)propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.036184186 u |
| Formula | C12H16ClNOS2 |
| InChI | InChI=1S/C12H16ClNOS2/c1-14(2)12(16)17-9-3-8-15-11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3 |
| InChIKey | LEIRBEBZAXMYGC-UHFFFAOYSA-N |
| SMILES | C=1C(=CC=C(C1)Cl)OCCCSC(N(C)C)=S |