| SpectraBase Compound ID | FJfVWVlH4nK |
|---|---|
| InChI | InChI=1S/C23H25ClN2O2S2/c1-26(18-10-6-3-7-11-18)23(29)30-15-21(27)25-20-13-12-17(24)14-19(20)22(28)16-8-4-2-5-9-16/h2,4-5,8-9,12-14,18H,3,6-7,10-11,15H2,1H3,(H,25,27) |
| InChIKey | MQDFTEHVJQQWMK-UHFFFAOYSA-N |
| Mol Weight | 461.04 g/mol |
| Molecular Formula | C23H25ClN2O2S2 |
| Exact Mass | 460.104598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | UEDvECCEyX |
|---|---|
| Name | 2-(2-Benzoyl-4-chloroanilino)-2-oxoethyl cyclohexyl(methyl)dithiocarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.104598099 u |
| Formula | C23H25ClN2O2S2 |
| InChI | InChI=1S/C23H25ClN2O2S2/c1-26(18-10-6-3-7-11-18)23(29)30-15-21(27)25-20-13-12-17(24)14-19(20)22(28)16-8-4-2-5-9-16/h2,4-5,8-9,12-14,18H,3,6-7,10-11,15H2,1H3,(H,25,27) |
| InChIKey | MQDFTEHVJQQWMK-UHFFFAOYSA-N |
| Molecular Weight | 461.038 g/mol |
| SMILES | N(C1=C(C(=O)C=2C=CC=CC2)C=C(C=C1)Cl)C(=O)CSC(N(C1CCCCC1)C)=S |