| SpectraBase Compound ID | AK0dEnOtJAL |
|---|---|
| InChI | InChI=1S/C17H17NS2/c1-18(14-16-10-6-3-7-11-16)17(19)20-13-12-15-8-4-2-5-9-15/h2-13H,14H2,1H3/b13-12+ |
| InChIKey | PLRNCDHDJFKOSU-OUKQBFOZSA-N |
| Mol Weight | 299.45 g/mol |
| Molecular Formula | C17H17NS2 |
| Exact Mass | 299.080242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IuKoSdQCSXO |
|---|---|
| Name | 2-Phenylvinyl N-benzyl-N-methyl-dithiocarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.080241899 u |
| Formula | C17H17NS2 |
| InChI | InChI=1S/C17H17NS2/c1-18(14-16-10-6-3-7-11-16)17(19)20-13-12-15-8-4-2-5-9-15/h2-13H,14H2,1H3/b13-12+ |
| InChIKey | PLRNCDHDJFKOSU-OUKQBFOZSA-N |
| Molecular Weight | 299.450 g/mol |
| SMILES | C(N(CC1=CC=CC=C1)C)(=S)S\C=C\C=1C=CC=CC1 |